[(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

C17H24N6O3 — CID 163540843

IUPAC[(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cnn(C)c3)n[nH]2)C1
InChIInChI=1S/C17H24N6O3/c1-3-6-18-17(25)26-13-5-4-11(7-13)14-8-15(22-21-14)20-16(24)12-9-19-23(2)10-12/h8-11,13H,3-7H2,1-2H3,(H,18,25)(H2,20,21,22,24)/t11-,13+/m0/s1
InChIKeyFAYSMBWJZRQRRM-WCQYABFASA-N
MW360.42 g/mol
LogP2.17
Rot. Bonds6

About [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

[(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 163540843) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID163540843
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name[(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cnn(C)c3)n[nH]2)C1
InChIInChI=1S/C17H24N6O3/c1-3-6-18-17(25)26-13-5-4-11(7-13)14-8-15(22-21-14)20-16(24)12-9-19-23(2)10-12/h8-11,13H,3-7H2,1-2H3,(H,18,25)(H2,20,21,22,24)/t11-,13+/m0/s1
InChIKeyFAYSMBWJZRQRRM-WCQYABFASA-N
XLogP2.17
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
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-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 163540843) is [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)c3cnn(C)c3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is FAYSMBWJZRQRRM-WCQYABFASA-N. The full InChI is InChI=1S/C17H24N6O3/c1-3-6-18-17(25)26-13-5-4-11(7-13)14-8-15(22-21-14)20-16(24)12-9-19-23(2)10-12/h8-11,13H,3-7H2,1-2H3,(H,18,25)(H2,20,21,22,24)/t11-,13+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 360.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 163540843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).