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

C18H26N6O3 — CID 155025439

IUPAC[3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(c2cc(NC(=O)c3cn(C)nc3C)n[nH]2)C1
InChIInChI=1S/C18H26N6O3/c1-4-7-19-18(26)27-13-6-5-12(8-13)15-9-16(22-21-15)20-17(25)14-10-24(3)23-11(14)2/h9-10,12-13H,4-8H2,1-3H3,(H,19,26)(H2,20,21,22,25)
InChIKeyZFHLUXYVJPRRIA-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.48
Rot. Bonds6

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

[3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 155025439) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

Compound Name[3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
PubChem CID155025439
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name[3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
SMILESCCCNC(=O)OC1CCC(c2cc(NC(=O)c3cn(C)nc3C)n[nH]2)C1
InChIInChI=1S/C18H26N6O3/c1-4-7-19-18(26)27-13-6-5-12(8-13)15-9-16(22-21-15)20-17(25)14-10-24(3)23-11(14)2/h9-10,12-13H,4-8H2,1-3H3,(H,19,26)(H2,20,21,22,25)
InChIKeyZFHLUXYVJPRRIA-UHFFFAOYSA-N
XLogP2.48
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The IUPAC name of [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 155025439) is [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.
What is the SMILES notation for [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The canonical SMILES for [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)OC1CCC(c2cc(NC(=O)c3cn(C)nc3C)n[nH]2)C1.
What is the InChIKey of [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
The InChIKey is ZFHLUXYVJPRRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-4-7-19-18(26)27-13-6-5-12(8-13)15-9-16(22-21-15)20-17(25)14-10-24(3)23-11(14)2/h9-10,12-13H,4-8H2,1-3H3,(H,19,26)(H2,20,21,22,25).
What are the key properties of [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?
[3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 374.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 155025439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).