2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide

C28H33N7O2 — CID 73352182

IUPAC2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C28H33N7O2/c1-5-34-26(18-21(3)32-34)27(36)29-14-13-23(19-22-9-7-6-8-10-22)33(4)28(37)24-17-20(2)11-12-25(24)35-30-15-16-31-35/h6-12,15-18,23H,5,13-14,19H2,1-4H3,(H,29,36)/t23-/m1/s1
InChIKeyHVRDTLXWYSZVKS-HSZRJFAPSA-N
MW499.62 g/mol
LogP3.60
Rot. Bonds10

About 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide (PubChem CID 73352182) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide
PubChem CID73352182
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C28H33N7O2/c1-5-34-26(18-21(3)32-34)27(36)29-14-13-23(19-22-9-7-6-8-10-22)33(4)28(37)24-17-20(2)11-12-25(24)35-30-15-16-31-35/h6-12,15-18,23H,5,13-14,19H2,1-4H3,(H,29,36)/t23-/m1/s1
InChIKeyHVRDTLXWYSZVKS-HSZRJFAPSA-N
XLogP3.60
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide (CID 73352182) is 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide?
The InChIKey is HVRDTLXWYSZVKS-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-5-34-26(18-21(3)32-34)27(36)29-14-13-23(19-22-9-7-6-8-10-22)33(4)28(37)24-17-20(2)11-12-25(24)35-30-15-16-31-35/h6-12,15-18,23H,5,13-14,19H2,1-4H3,(H,29,36)/t23-/m1/s1.
What are the key properties of 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide is sourced from PubChem (CID 73352182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).