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

C15H17ClN4O — CID 77080412

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCCCC1C=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
InChIKeyNRGYWMCVEUDKOP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.87
Rot. Bonds3

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

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 77080412) 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)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID77080412
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCCCC1C=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
InChIKeyNRGYWMCVEUDKOP-UHFFFAOYSA-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

3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 97444504
3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77083829
1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one
CID 126441341
3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91762320
3-chloro-6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77097468
[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 74238564
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
CID 95189989
3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080620
3-chloro-N,6-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 97124608
(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 99928048
2-[5-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-1-cyclohexyl-1,2,4-triazol-3-yl]acetamide
CID 72905569

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone (CID 77080412) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone is CCCC1C=CCN1C(=O)c1nn2cc(C)cnc2c1Cl.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is NRGYWMCVEUDKOP-UHFFFAOYSA-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.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(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)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 77080412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).