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

C25H38N6O3 — CID 166118096

IUPAC[(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-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)c3cnn(C4CCC(C(C)C)CC4)c3)n[nH]2)C1
InChIInChI=1S/C25H38N6O3/c1-15(2)17-5-8-20(9-6-17)31-14-19(13-26-31)24(32)28-23-12-22(29-30-23)18-7-10-21(11-18)34-25(33)27-16(3)4/h12-18,20-21H,5-11H2,1-4H3,(H,27,33)(H2,28,29,30,32)/t17?,18-,20?,21+/m0/s1
InChIKeyGQOJOHWXURRQMN-USXQIBFBSA-N
MW470.62 g/mol
LogP5.02
Rot. Bonds7

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

[(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 166118096) has the molecular formula C25H38N6O3 and a molecular weight of 470.62 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID166118096
Molecular FormulaC25H38N6O3
Molecular Weight470.62 g/mol
Exact Mass470.30
IUPAC Name[(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-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)c3cnn(C4CCC(C(C)C)CC4)c3)n[nH]2)C1
InChIInChI=1S/C25H38N6O3/c1-15(2)17-5-8-20(9-6-17)31-14-19(13-26-31)24(32)28-23-12-22(29-30-23)18-7-10-21(11-18)34-25(33)27-16(3)4/h12-18,20-21H,5-11H2,1-4H3,(H,27,33)(H2,28,29,30,32)/t17?,18-,20?,21+/m0/s1
InChIKeyGQOJOHWXURRQMN-USXQIBFBSA-N
XLogP5.02
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 166118096) is [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-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)c3cnn(C4CCC(C(C)C)CC4)c3)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is GQOJOHWXURRQMN-USXQIBFBSA-N. The full InChI is InChI=1S/C25H38N6O3/c1-15(2)17-5-8-20(9-6-17)31-14-19(13-26-31)24(32)28-23-12-22(29-30-23)18-7-10-21(11-18)34-25(33)27-16(3)4/h12-18,20-21H,5-11H2,1-4H3,(H,27,33)(H2,28,29,30,32)/t17?,18-,20?,21+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 470.62 g/mol, XLogP of 5.02, 7 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-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 166118096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).