N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C20H19FN4O — CID 135316111

IUPACN-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1nccc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)c1C
InChIInChI=1S/C20H19FN4O/c1-13-14(2)22-11-7-17(13)25-12-8-18(24-25)23-19(26)20(9-10-20)15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,26)
InChIKeyUUIIHHUQRFRDJC-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 135316111) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID135316111
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1nccc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)c1C
InChIInChI=1S/C20H19FN4O/c1-13-14(2)22-11-7-17(13)25-12-8-18(24-25)23-19(26)20(9-10-20)15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,26)
InChIKeyUUIIHHUQRFRDJC-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 135316111) is N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is Cc1nccc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)c1C.
What is the InChIKey of N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UUIIHHUQRFRDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-14(2)22-11-7-17(13)25-12-8-18(24-25)23-19(26)20(9-10-20)15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,26).
What are the key properties of N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135316111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).