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

C27H25F3N6O2 — CID 171682994

IUPAC1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)c1)c1ccn(C(F)F)n1
InChIInChI=1S/C27H25F3N6O2/c28-21-7-3-19(4-8-21)15-18-1-5-20(6-2-18)26(38)34-12-9-23(10-13-34)36-17-22(16-31-36)32-25(37)24-11-14-35(33-24)27(29)30/h1-8,11,14,16-17,23,27H,9-10,12-13,15H2,(H,32,37)
InChIKeyCXXIBHVVBDIWOX-UHFFFAOYSA-N
MW522.53 g/mol
LogP4.93
Rot. Bonds7

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

1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 171682994) has the molecular formula C27H25F3N6O2 and a molecular weight of 522.53 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID171682994
Molecular FormulaC27H25F3N6O2
Molecular Weight522.53 g/mol
Exact Mass522.20
IUPAC Name1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)c1)c1ccn(C(F)F)n1
InChIInChI=1S/C27H25F3N6O2/c28-21-7-3-19(4-8-21)15-18-1-5-20(6-2-18)26(38)34-12-9-23(10-13-34)36-17-22(16-31-36)32-25(37)24-11-14-35(33-24)27(29)30/h1-8,11,14,16-17,23,27H,9-10,12-13,15H2,(H,32,37)
InChIKeyCXXIBHVVBDIWOX-UHFFFAOYSA-N
XLogP4.93
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-[2-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-[(4-fluorophenyl)methyl]phenyl]acetamide
CID 171683942
2-(4-chloro-3-fluorophenyl)-N-[1-[1-(4-phenoxybenzoyl)piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171684901
N-[1-[1-[3-(3,5-difluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]pyrazol-4-yl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 171685269
2-(4-fluoro-2-methoxyphenyl)-N-[1-[1-[4-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171683606
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 166249171
N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 171682537
2-(2,6-dimethylphenyl)sulfanyl-N-[1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]acetamide
CID 171685806
[1-(difluoromethyl)pyrazol-3-yl]-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 46969146
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
1-(difluoromethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 146125697
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
2-ethoxy-4-fluoro-N-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]benzamide
CID 172888799

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 171682994) is 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide is O=C(Nc1cnn(C2CCN(C(=O)c3ccc(Cc4ccc(F)cc4)cc3)CC2)c1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is CXXIBHVVBDIWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6O2/c28-21-7-3-19(4-8-21)15-18-1-5-20(6-2-18)26(38)34-12-9-23(10-13-34)36-17-22(16-31-36)32-25(37)24-11-14-35(33-24)27(29)30/h1-8,11,14,16-17,23,27H,9-10,12-13,15H2,(H,32,37).
What are the key properties of 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 522.53 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[1-[1-[4-[(4-fluorophenyl)methyl]benzoyl]piperidin-4-yl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 171682994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).