1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide

C25H29N5O2 — CID 130365326

IUPAC1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1NC(=O)c1cn(C2CC2)nn1
InChIInChI=1S/C25H29N5O2/c1-18-13-29(15-23(18)26-25(31)24-16-30(28-27-24)21-9-10-21)14-19-7-11-22(12-8-19)32-17-20-5-3-2-4-6-20/h2-8,11-12,16,18,21,23H,9-10,13-15,17H2,1H3,(H,26,31)/t18-,23+/m1/s1
InChIKeyKXCTYWTZKDUJHP-JPYJTQIMSA-N
MW431.54 g/mol
LogP3.44
Rot. Bonds8

About 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide

1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide (PubChem CID 130365326) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide
PubChem CID130365326
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1NC(=O)c1cn(C2CC2)nn1
InChIInChI=1S/C25H29N5O2/c1-18-13-29(15-23(18)26-25(31)24-16-30(28-27-24)21-9-10-21)14-19-7-11-22(12-8-19)32-17-20-5-3-2-4-6-20/h2-8,11-12,16,18,21,23H,9-10,13-15,17H2,1H3,(H,26,31)/t18-,23+/m1/s1
InChIKeyKXCTYWTZKDUJHP-JPYJTQIMSA-N
XLogP3.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide with MolForge

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Related Compounds

N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 129429409
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
1-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)triazole-4-carboxamide
CID 130365391
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)urea
CID 124738956
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129446372
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119726785
(1S,5S)-N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129429562
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide (CID 130365326) is 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide is C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1NC(=O)c1cn(C2CC2)nn1.
What is the InChIKey of 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide?
The InChIKey is KXCTYWTZKDUJHP-JPYJTQIMSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-13-29(15-23(18)26-25(31)24-16-30(28-27-24)21-9-10-21)14-19-7-11-22(12-8-19)32-17-20-5-3-2-4-6-20/h2-8,11-12,16,18,21,23H,9-10,13-15,17H2,1H3,(H,26,31)/t18-,23+/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide?
1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 130365326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).