[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone

C19H22N4O2 — CID 92558468

IUPAC[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)C3CC3)c2N)cc1
InChIInChI=1S/C19H22N4O2/c1-12-4-8-14(9-5-12)23-18(20)15(11-21-23)17(24)16-3-2-10-22(16)19(25)13-6-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10,20H2,1H3/t16-/m0/s1
InChIKeyWDPJZCXFCPJYBY-INIZCTEOSA-N
MW338.41 g/mol
LogP2.35
Rot. Bonds4

About [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone

[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 92558468) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID92558468
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)C3CC3)c2N)cc1
InChIInChI=1S/C19H22N4O2/c1-12-4-8-14(9-5-12)23-18(20)15(11-21-23)17(24)16-3-2-10-22(16)19(25)13-6-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10,20H2,1H3/t16-/m0/s1
InChIKeyWDPJZCXFCPJYBY-INIZCTEOSA-N
XLogP2.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
1-[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 92585244
(5-amino-1-phenylpyrazol-4-yl)-[(2S)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594885
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594883
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 110239869
(5-amino-1-phenylpyrazol-4-yl)-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239808
1-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239851
1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 110239852
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92575873
1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110239848
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[(2R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 92595192
N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 92558546

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone (CID 92558468) is [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone is Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)C3CC3)c2N)cc1.
What is the InChIKey of [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is WDPJZCXFCPJYBY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-4-8-14(9-5-12)23-18(20)15(11-21-23)17(24)16-3-2-10-22(16)19(25)13-6-7-13/h4-5,8-9,11,13,16H,2-3,6-7,10,20H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone?
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 338.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 92558468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).