N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide

C21H19FN4O — CID 51352909

IUPACN-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1)c1ccncc1
InChIInChI=1S/C21H19FN4O/c22-17-11-16(24-21(27)15-7-9-23-10-8-15)5-6-19(17)26-20(14-3-4-14)12-18(25-26)13-1-2-13/h5-14H,1-4H2,(H,24,27)
InChIKeyCJSSCSFJKBMVPA-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.41
Rot. Bonds5

About N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide

N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide (PubChem CID 51352909) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide
PubChem CID51352909
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1)c1ccncc1
InChIInChI=1S/C21H19FN4O/c22-17-11-16(24-21(27)15-7-9-23-10-8-15)5-6-19(17)26-20(14-3-4-14)12-18(25-26)13-1-2-13/h5-14H,1-4H2,(H,24,27)
InChIKeyCJSSCSFJKBMVPA-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide (CID 51352909) is N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1)c1ccncc1.
What is the InChIKey of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide?
The InChIKey is CJSSCSFJKBMVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-17-11-16(24-21(27)15-7-9-23-10-8-15)5-6-19(17)26-20(14-3-4-14)12-18(25-26)13-1-2-13/h5-14H,1-4H2,(H,24,27).
What are the key properties of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide?
N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide is sourced from PubChem (CID 51352909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).