(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide

C20H24N6O — CID 125161273

IUPAC(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)n1
InChIInChI=1S/C20H24N6O/c1-14-12-15(2)26(23-14)19-8-10-24(13-19)20(27)22-17-4-6-18(7-5-17)25-11-9-21-16(25)3/h4-7,9,11-12,19H,8,10,13H2,1-3H3,(H,22,27)/t19-/m0/s1
InChIKeyDMADCYMLAYEWHQ-IBGZPJMESA-N
MW364.45 g/mol
LogP3.47
Rot. Bonds3

About (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide

(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 125161273) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID125161273
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)n1
InChIInChI=1S/C20H24N6O/c1-14-12-15(2)26(23-14)19-8-10-24(13-19)20(27)22-17-4-6-18(7-5-17)25-11-9-21-16(25)3/h4-7,9,11-12,19H,8,10,13H2,1-3H3,(H,22,27)/t19-/m0/s1
InChIKeyDMADCYMLAYEWHQ-IBGZPJMESA-N
XLogP3.47
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 97436775
(1R,6S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 118794355
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-1-carboxamide
CID 97456253
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 163312952
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide
CID 72890884
1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 125166653
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 97435687
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70761131
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-indolizin-3-ylmethanone
CID 162628843
6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 97284744
2-(cyclopropylmethylsulfanyl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 97142971

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide (CID 125161273) is (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide is Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)n1.
What is the InChIKey of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is DMADCYMLAYEWHQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-12-15(2)26(23-14)19-8-10-24(13-19)20(27)22-17-4-6-18(7-5-17)25-11-9-21-16(25)3/h4-7,9,11-12,19H,8,10,13H2,1-3H3,(H,22,27)/t19-/m0/s1.
What are the key properties of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 125161273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).