1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide

C20H19FN4O — CID 122245906

IUPAC1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)C3(c4ccc(F)cc4)CC3)ccn2)cn1
InChIInChI=1S/C20H19FN4O/c1-25-13-15(12-24-25)18-10-14(6-9-22-18)11-23-19(26)20(7-8-20)16-2-4-17(21)5-3-16/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,23,26)
InChIKeyPLEIIYIMTVCBTC-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 122245906) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID122245906
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)C3(c4ccc(F)cc4)CC3)ccn2)cn1
InChIInChI=1S/C20H19FN4O/c1-25-13-15(12-24-25)18-10-14(6-9-22-18)11-23-19(26)20(7-8-20)16-2-4-17(21)5-3-16/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,23,26)
InChIKeyPLEIIYIMTVCBTC-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 122245906) is 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide is Cn1cc(-c2cc(CNC(=O)C3(c4ccc(F)cc4)CC3)ccn2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is PLEIIYIMTVCBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-25-13-15(12-24-25)18-10-14(6-9-22-18)11-23-19(26)20(7-8-20)16-2-4-17(21)5-3-16/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,23,26).
What are the key properties of 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122245906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).