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

C16H24N6O2 — CID 171356726

IUPAC[(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccn(C)n3)n[nH]2)C1
InChIInChI=1S/C16H24N6O2/c1-10(2)17-16(23)24-12-5-4-11(8-12)13-9-15(20-19-13)18-14-6-7-22(3)21-14/h6-7,9-12H,4-5,8H2,1-3H3,(H,17,23)(H2,18,19,20,21)/t11-,12+/m0/s1
InChIKeyHYMBOLGWLKYHJT-NWDGAFQWSA-N
MW332.41 g/mol
LogP2.66
Rot. Bonds5

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

[(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 171356726) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID171356726
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccn(C)n3)n[nH]2)C1
InChIInChI=1S/C16H24N6O2/c1-10(2)17-16(23)24-12-5-4-11(8-12)13-9-15(20-19-13)18-14-6-7-22(3)21-14/h6-7,9-12H,4-5,8H2,1-3H3,(H,17,23)(H2,18,19,20,21)/t11-,12+/m0/s1
InChIKeyHYMBOLGWLKYHJT-NWDGAFQWSA-N
XLogP2.66
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 171356726) is [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccn(C)n3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is HYMBOLGWLKYHJT-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)17-16(23)24-12-5-4-11(8-12)13-9-15(20-19-13)18-14-6-7-22(3)21-14/h6-7,9-12H,4-5,8H2,1-3H3,(H,17,23)(H2,18,19,20,21)/t11-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 332.41 g/mol, XLogP of 2.66, 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-[(1-methylpyrazol-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 171356726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).