[(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C17H24N6O3 — CID 154616703

IUPAC[(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cncn3C)n[nH]2)C1
InChIInChI=1S/C17H24N6O3/c1-10(2)19-17(25)26-12-5-4-11(6-12)13-7-15(22-21-13)20-16(24)14-8-18-9-23(14)3/h7-12H,4-6H2,1-3H3,(H,19,25)(H2,20,21,22,24)/t11-,12+/m0/s1
InChIKeyTUYLSQJAAZRDPP-NWDGAFQWSA-N
MW360.42 g/mol
LogP2.17
Rot. Bonds5

About [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 154616703) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID154616703
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name[(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cncn3C)n[nH]2)C1
InChIInChI=1S/C17H24N6O3/c1-10(2)19-17(25)26-12-5-4-11(6-12)13-7-15(22-21-13)20-16(24)14-8-18-9-23(14)3/h7-12H,4-6H2,1-3H3,(H,19,25)(H2,20,21,22,24)/t11-,12+/m0/s1
InChIKeyTUYLSQJAAZRDPP-NWDGAFQWSA-N
XLogP2.17
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 154616703) is [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cncn3C)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is TUYLSQJAAZRDPP-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-10(2)19-17(25)26-12-5-4-11(6-12)13-7-15(22-21-13)20-16(24)14-8-18-9-23(14)3/h7-12H,4-6H2,1-3H3,(H,19,25)(H2,20,21,22,24)/t11-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 360.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(3-methylimidazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 154616703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).