1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine

C39H40F2N8O3 — CID 157390629

IUPAC1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine
SMILESC.Cc1ncccc1-n1ccc(N)n1.Cc1ncccc1-n1ccc(NC(=O)C2(c3ccccc3F)CC2)n1.O=C(O)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O.C10H9FO2.C9H10N4.CH4/c1-13-16(7-4-11-21-13)24-12-8-17(23-24)22-18(25)19(9-10-19)14-5-2-3-6-15(14)20;11-8-4-2-1-3-7(8)10(5-6-10)9(12)13;1-7-8(3-2-5-11-7)13-6-4-9(10)12-13;/h2-8,11-12H,9-10H2,1H3,(H,22,23,25);1-4H,5-6H2,(H,12,13);2-6H,1H3,(H2,10,12);1H4
InChIKeyBLYPTXZEKGDGPG-UHFFFAOYSA-N
MW706.80 g/mol
LogP7.12
Rot. Bonds7

About 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine

1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine (PubChem CID 157390629) has the molecular formula C39H40F2N8O3 and a molecular weight of 706.80 g/mol. Its IUPAC name is 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine
PubChem CID157390629
Molecular FormulaC39H40F2N8O3
Molecular Weight706.80 g/mol
Exact Mass706.32
IUPAC Name1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine
SMILESC.Cc1ncccc1-n1ccc(N)n1.Cc1ncccc1-n1ccc(NC(=O)C2(c3ccccc3F)CC2)n1.O=C(O)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H17FN4O.C10H9FO2.C9H10N4.CH4/c1-13-16(7-4-11-21-13)24-12-8-17(23-24)22-18(25)19(9-10-19)14-5-2-3-6-15(14)20;11-8-4-2-1-3-7(8)10(5-6-10)9(12)13;1-7-8(3-2-5-11-7)13-6-4-9(10)12-13;/h2-8,11-12H,9-10H2,1H3,(H,22,23,25);1-4H,5-6H2,(H,12,13);2-6H,1H3,(H2,10,12);1H4
InChIKeyBLYPTXZEKGDGPG-UHFFFAOYSA-N
XLogP7.12
TPSA153.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.80
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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US10030027, Example 23B
CID 129242684
US10030027, Example 21B
CID 129242977
US10030027, Example 148A
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US11365185, Example 13B
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US11365185, Example 21B
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US11365185, Example 4B
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US11365185, Example 12B
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US11365185, Example 19B
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US11365185, Example 24B
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine?
The IUPAC name of 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine (CID 157390629) is 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine is C.Cc1ncccc1-n1ccc(N)n1.Cc1ncccc1-n1ccc(NC(=O)C2(c3ccccc3F)CC2)n1.O=C(O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine?
The InChIKey is BLYPTXZEKGDGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O.C10H9FO2.C9H10N4.CH4/c1-13-16(7-4-11-21-13)24-12-8-17(23-24)22-18(25)19(9-10-19)14-5-2-3-6-15(14)20;11-8-4-2-1-3-7(8)10(5-6-10)9(12)13;1-7-8(3-2-5-11-7)13-6-4-9(10)12-13;/h2-8,11-12H,9-10H2,1H3,(H,22,23,25);1-4H,5-6H2,(H,12,13);2-6H,1H3,(H2,10,12);1H4.
What are the key properties of 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine?
1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine has a molecular weight of 706.80 g/mol, XLogP of 7.12, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-fluorophenyl)-N-[1-(2-methyl-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;methane;1-(2-methyl-3-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 157390629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).