1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid

C16H23N7O3 — CID 175923698

IUPAC1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid
SMILESCC(C[C@@H]1CC[C@H](c2cc(NC(=O)c3cnnn3C)n[nH]2)C1)NC(=O)O
InChIInChI=1S/C16H23N7O3/c1-9(18-16(25)26)5-10-3-4-11(6-10)12-7-14(21-20-12)19-15(24)13-8-17-22-23(13)2/h7-11,18H,3-6H2,1-2H3,(H,25,26)(H2,19,20,21,24)/t9?,10-,11-/m0/s1
InChIKeyLTKGKKFDLUUPSN-DVRYWGNFSA-N
MW361.41 g/mol
LogP1.72
Rot. Bonds6

About 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid

1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid (PubChem CID 175923698) has the molecular formula C16H23N7O3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid
PubChem CID175923698
Molecular FormulaC16H23N7O3
Molecular Weight361.41 g/mol
Exact Mass361.19
IUPAC Name1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid
SMILESCC(C[C@@H]1CC[C@H](c2cc(NC(=O)c3cnnn3C)n[nH]2)C1)NC(=O)O
InChIInChI=1S/C16H23N7O3/c1-9(18-16(25)26)5-10-3-4-11(6-10)12-7-14(21-20-12)19-15(24)13-8-17-22-23(13)2/h7-11,18H,3-6H2,1-2H3,(H,25,26)(H2,19,20,21,24)/t9?,10-,11-/m0/s1
InChIKeyLTKGKKFDLUUPSN-DVRYWGNFSA-N
XLogP1.72
TPSA137.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid 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 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid?
The IUPAC name of 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid (CID 175923698) is 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid is CC(C[C@@H]1CC[C@H](c2cc(NC(=O)c3cnnn3C)n[nH]2)C1)NC(=O)O.
What is the InChIKey of 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid?
The InChIKey is LTKGKKFDLUUPSN-DVRYWGNFSA-N. The full InChI is InChI=1S/C16H23N7O3/c1-9(18-16(25)26)5-10-3-4-11(6-10)12-7-14(21-20-12)19-15(24)13-8-17-22-23(13)2/h7-11,18H,3-6H2,1-2H3,(H,25,26)(H2,19,20,21,24)/t9?,10-,11-/m0/s1.
What are the key properties of 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid?
1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid has a molecular weight of 361.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid is sourced from PubChem (CID 175923698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).