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

C20H23N5O — CID 95868489

IUPAC(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCc1nn2c(N3CCC[C@H](C(N)=O)C3)cc(-c3ccccc3)nc2c1C
InChIInChI=1S/C20H23N5O/c1-13-14(2)23-25-18(24-10-6-9-16(12-24)19(21)26)11-17(22-20(13)25)15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H2,21,26)/t16-/m0/s1
InChIKeyDLQPIYQPGCJODY-INIZCTEOSA-N
MW349.44 g/mol
LogP2.71
Rot. Bonds3

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

(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 95868489) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID95868489
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCc1nn2c(N3CCC[C@H](C(N)=O)C3)cc(-c3ccccc3)nc2c1C
InChIInChI=1S/C20H23N5O/c1-13-14(2)23-25-18(24-10-6-9-16(12-24)19(21)26)11-17(22-20(13)25)15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H2,21,26)/t16-/m0/s1
InChIKeyDLQPIYQPGCJODY-INIZCTEOSA-N
XLogP2.71
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile
CID 95896545
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
ethyl 1-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate
CID 3229991
ethyl 1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate
CID 3230011
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
1-(2,5-dimethylpyrazol-3-yl)piperidine-3-carboxamide
CID 67413079
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3227365
1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 56815477
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 169148065
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55701198
(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 8731392

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 95868489) is (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is Cc1nn2c(N3CCC[C@H](C(N)=O)C3)cc(-c3ccccc3)nc2c1C.
What is the InChIKey of (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is DLQPIYQPGCJODY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-14(2)23-25-18(24-10-6-9-16(12-24)19(21)26)11-17(22-20(13)25)15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H2,21,26)/t16-/m0/s1.
What are the key properties of (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95868489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).