(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone

C15H17ClN4O — CID 99928205

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCCC[C@H]1C=CCN1C(=O)c1nn2cc(C)cnc2c1Cl
InChIInChI=1S/C15H17ClN4O/c1-3-5-11-6-4-7-19(11)15(21)13-12(16)14-17-8-10(2)9-20(14)18-13/h4,6,8-9,11H,3,5,7H2,1-2H3/t11-/m0/s1
InChIKeyNRGYWMCVEUDKOP-NSHDSACASA-N
MW304.78 g/mol
LogP2.87
Rot. Bonds3

About (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 99928205) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
PubChem CID99928205
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCCC[C@H]1C=CCN1C(=O)c1nn2cc(C)cnc2c1Cl
InChIInChI=1S/C15H17ClN4O/c1-3-5-11-6-4-7-19(11)15(21)13-12(16)14-17-8-10(2)9-20(14)18-13/h4,6,8-9,11H,3,5,7H2,1-2H3/t11-/m0/s1
InChIKeyNRGYWMCVEUDKOP-NSHDSACASA-N
XLogP2.87
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094293
2-(1-Azepanylcarbonyl)-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
CID 567052
6-(2-Chloroethyl)-2-[(2,6-dimethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 4986508
3-chloro-N-(4-cyano-2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256253
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3-Chloro-2-[(2-ethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2982117
(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53193615
3-chloro-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5253569
2-[(3-Chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 50985566
3-Chloro-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-isopropyl-6-methylpyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 77086511
(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95137677
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 95722359

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone (CID 99928205) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone is CCC[C@H]1C=CCN1C(=O)c1nn2cc(C)cnc2c1Cl.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is NRGYWMCVEUDKOP-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-5-11-6-4-7-19(11)15(21)13-12(16)14-17-8-10(2)9-20(14)18-13/h4,6,8-9,11H,3,5,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 99928205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).