ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate

C19H29N3O3 — CID 69416137

IUPACethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C(=O)C1CCC(C)CC1)C1CCCC1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(24)16-12-20-21-17(16)22(15-6-4-5-7-15)18(23)14-10-8-13(2)9-11-14/h12-15H,3-11H2,1-2H3,(H,20,21)
InChIKeyBUUWNRAPVNJPJG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.69
Rot. Bonds5

About ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate

ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate (PubChem CID 69416137) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate
PubChem CID69416137
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C(=O)C1CCC(C)CC1)C1CCCC1
InChIInChI=1S/C19H29N3O3/c1-3-25-19(24)16-12-20-21-17(16)22(15-6-4-5-7-15)18(23)14-10-8-13(2)9-11-14/h12-15H,3-11H2,1-2H3,(H,20,21)
InChIKeyBUUWNRAPVNJPJG-UHFFFAOYSA-N
XLogP3.69
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate (CID 69416137) is ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1N(C(=O)C1CCC(C)CC1)C1CCCC1.
What is the InChIKey of ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
The InChIKey is BUUWNRAPVNJPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-19(24)16-12-20-21-17(16)22(15-6-4-5-7-15)18(23)14-10-8-13(2)9-11-14/h12-15H,3-11H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate?
ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 69416137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).