3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C19H21FN6O — CID 91631956

IUPAC3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n[nH]1
InChIInChI=1S/C19H21FN6O/c1-12-10-18(25-22-12)26-8-6-15(7-9-26)21-19(27)17-11-16(23-24-17)13-2-4-14(20)5-3-13/h2-5,10-11,15H,6-9H2,1H3,(H,21,27)(H,22,25)(H,23,24)
InChIKeyLQZRNQKJEQQHBY-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.65
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 91631956) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID91631956
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n[nH]1
InChIInChI=1S/C19H21FN6O/c1-12-10-18(25-22-12)26-8-6-15(7-9-26)21-19(27)17-11-16(23-24-17)13-2-4-14(20)5-3-13/h2-5,10-11,15H,6-9H2,1H3,(H,21,27)(H,22,25)(H,23,24)
InChIKeyLQZRNQKJEQQHBY-UHFFFAOYSA-N
XLogP2.65
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 91631956) is 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is Cc1cc(N2CCC(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LQZRNQKJEQQHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-12-10-18(25-22-12)26-8-6-15(7-9-26)21-19(27)17-11-16(23-24-17)13-2-4-14(20)5-3-13/h2-5,10-11,15H,6-9H2,1H3,(H,21,27)(H,22,25)(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91631956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).