(4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

C15H17ClN4O — CID 62081247

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCCC2c2ccccc2Cl)c1N
InChIInChI=1S/C15H17ClN4O/c1-9-13(17)14(19-18-9)15(21)20-8-4-7-12(20)10-5-2-3-6-11(10)16/h2-3,5-6,12H,4,7-8,17H2,1H3,(H,18,19)
InChIKeyNDWPTPRXHLTSRT-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.93
Rot. Bonds2

About (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

(4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 62081247) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID62081247
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCCC2c2ccccc2Cl)c1N
InChIInChI=1S/C15H17ClN4O/c1-9-13(17)14(19-18-9)15(21)20-8-4-7-12(20)10-5-2-3-6-11(10)16/h2-3,5-6,12H,4,7-8,17H2,1H3,(H,18,19)
InChIKeyNDWPTPRXHLTSRT-UHFFFAOYSA-N
XLogP2.93
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 64524062
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879489
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 55035184
(3R)-1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butan-1-one
CID 124590794
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
2-amino-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872447
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 62081921
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (CID 62081247) is (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is Cc1[nH]nc(C(=O)N2CCCC2c2ccccc2Cl)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is NDWPTPRXHLTSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9-13(17)14(19-18-9)15(21)20-8-4-7-12(20)10-5-2-3-6-11(10)16/h2-3,5-6,12H,4,7-8,17H2,1H3,(H,18,19).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62081247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).