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

C17H23N7O3 — CID 154616535

IUPAC[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
SMILESC[C@H]1CCN1C(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cnnn3C)n[nH]2)C1
InChIInChI=1S/C17H23N7O3/c1-10-5-6-24(10)17(26)27-12-4-3-11(7-12)13-8-15(21-20-13)19-16(25)14-9-18-22-23(14)2/h8-12H,3-7H2,1-2H3,(H2,19,20,21,25)/t10-,11-,12+/m0/s1
InChIKeyGWGVEOVRPZFZJP-SDDRHHMPSA-N
MW373.42 g/mol
LogP1.66
Rot. Bonds4

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

[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate (PubChem CID 154616535) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
PubChem CID154616535
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Name[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
SMILESC[C@H]1CCN1C(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cnnn3C)n[nH]2)C1
InChIInChI=1S/C17H23N7O3/c1-10-5-6-24(10)17(26)27-12-4-3-11(7-12)13-8-15(21-20-13)19-16(25)14-9-18-22-23(14)2/h8-12H,3-7H2,1-2H3,(H2,19,20,21,25)/t10-,11-,12+/m0/s1
InChIKeyGWGVEOVRPZFZJP-SDDRHHMPSA-N
XLogP1.66
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
The IUPAC name of [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate (CID 154616535) is [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate.
What is the SMILES notation for [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
The canonical SMILES for [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate is C[C@H]1CCN1C(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cnnn3C)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
The InChIKey is GWGVEOVRPZFZJP-SDDRHHMPSA-N. The full InChI is InChI=1S/C17H23N7O3/c1-10-5-6-24(10)17(26)27-12-4-3-11(7-12)13-8-15(21-20-13)19-16(25)14-9-18-22-23(14)2/h8-12H,3-7H2,1-2H3,(H2,19,20,21,25)/t10-,11-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate has a molecular weight of 373.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate is sourced from PubChem (CID 154616535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).