(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C15H21N5O — CID 95863277

IUPAC(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCC(C)c1cc(N2CCC[C@H](C(N)=O)C2)n2nccc2n1
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-14(20-13(18-12)5-6-17-20)19-7-3-4-11(9-19)15(16)21/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H2,16,21)/t11-/m0/s1
InChIKeyGQODHONWIBAWKP-NSHDSACASA-N
MW287.37 g/mol
LogP1.55
Rot. Bonds3

About (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 95863277) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID95863277
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCC(C)c1cc(N2CCC[C@H](C(N)=O)C2)n2nccc2n1
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-14(20-13(18-12)5-6-17-20)19-7-3-4-11(9-19)15(16)21/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H2,16,21)/t11-/m0/s1
InChIKeyGQODHONWIBAWKP-NSHDSACASA-N
XLogP1.55
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
CID 56885348
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 95729043
5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 56902534
(1S,2S,9R)-11-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 56914864
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(2,5-dimethylpyrazol-3-yl)piperidine-3-carboxamide
CID 67413079
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95868489

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 95863277) is (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is CC(C)c1cc(N2CCC[C@H](C(N)=O)C2)n2nccc2n1.
What is the InChIKey of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is GQODHONWIBAWKP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)12-8-14(20-13(18-12)5-6-17-20)19-7-3-4-11(9-19)15(16)21/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H2,16,21)/t11-/m0/s1.
What are the key properties of (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95863277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).