N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide

C16H21F3N4O2 — CID 139006709

IUPACN-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C16H21F3N4O2/c1-9-12(13(22-21-9)16(17,18)19)15(25)23-6-2-3-11(8-23)14(24)20-7-10-4-5-10/h10-11H,2-8H2,1H3,(H,20,24)(H,21,22)
InChIKeyAJBMYZYPYRAMFH-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.12
Rot. Bonds4

About N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 139006709) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID139006709
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C16H21F3N4O2/c1-9-12(13(22-21-9)16(17,18)19)15(25)23-6-2-3-11(8-23)14(24)20-7-10-4-5-10/h10-11H,2-8H2,1H3,(H,20,24)(H,21,22)
InChIKeyAJBMYZYPYRAMFH-UHFFFAOYSA-N
XLogP2.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205635
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
N-(cyclopropylmethyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide
CID 55973061
N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 127267373
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
CID 155963766
N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 78882073
(3R)-1-(4-cyclohexylbenzoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 51954362
N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
CID 126829314
cis-(1R,3S)-3-[3-(cyclopropylmethylcarbamoyl)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065336
N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide
CID 126831173
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide (CID 139006709) is N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide is Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCCC(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is AJBMYZYPYRAMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-9-12(13(22-21-9)16(17,18)19)15(25)23-6-2-3-11(8-23)14(24)20-7-10-4-5-10/h10-11H,2-8H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 139006709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).