(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide

C11H15F3N4O — CID 94172258

IUPAC(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-2-1-5-18(7-8)10(19)15-6-9-3-4-16-17-9/h3-4,8H,1-2,5-7H2,(H,15,19)(H,16,17)/t8-/m0/s1
InChIKeySMSAKXBILBKJHM-QMMMGPOBSA-N
MW276.26 g/mol
LogP1.89
Rot. Bonds2

About (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide

(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 94172258) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID94172258
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-2-1-5-18(7-8)10(19)15-6-9-3-4-16-17-9/h3-4,8H,1-2,5-7H2,(H,15,19)(H,16,17)/t8-/m0/s1
InChIKeySMSAKXBILBKJHM-QMMMGPOBSA-N
XLogP1.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132971346
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084993
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 126821129
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 42955553
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
1-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451731

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 94172258) is (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(NCc1ccn[nH]1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is SMSAKXBILBKJHM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-2-1-5-18(7-8)10(19)15-6-9-3-4-16-17-9/h3-4,8H,1-2,5-7H2,(H,15,19)(H,16,17)/t8-/m0/s1.
What are the key properties of (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide?
(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 94172258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).