(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H19F3N4O — CID 62075410

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C13H19F3N4O/c1-7(2)10-9(17)11(19-18-10)12(21)20-5-3-4-8(6-20)13(14,15)16/h7-8H,3-6,17H2,1-2H3,(H,18,19)
InChIKeySXYCWVUAWKWAIK-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.53
Rot. Bonds2

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 62075410) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID62075410
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C13H19F3N4O/c1-7(2)10-9(17)11(19-18-10)12(21)20-5-3-4-8(6-20)13(14,15)16/h7-8H,3-6,17H2,1-2H3,(H,18,19)
InChIKeySXYCWVUAWKWAIK-UHFFFAOYSA-N
XLogP2.53
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279947
1H-Pyrazole-3-carboxamide, 4-amino-5-methyl-N-(3-methylbutyl)-
CID 3061962
1H-Pyrazolo(4,3-d)pyrimidin-7(6H)-one, 6-isopentyl-3-methyl-
CID 3061965
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
[5-(3-Methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118742237
4-[[butyl(methyl)amino]diazenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 279950
2-Methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 46168740
5-isopentyl-N,N-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914410
3,5-Di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 136748515
5-Butyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 172465650
N-[(3S)-1-ethylpiperidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 164631801
4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68889748

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 62075410) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CC(C)c1[nH]nc(C(=O)N2CCCC(C(F)(F)F)C2)c1N.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is SXYCWVUAWKWAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-7(2)10-9(17)11(19-18-10)12(21)20-5-3-4-8(6-20)13(14,15)16/h7-8H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 304.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62075410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).