ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate

C18H22N4O3 — CID 60577223

IUPACethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccc(NC(=O)NC3CCCC3)cc2)n1
InChIInChI=1S/C18H22N4O3/c1-2-25-17(23)16-11-12-22(21-16)15-9-7-14(8-10-15)20-18(24)19-13-5-3-4-6-13/h7-13H,2-6H2,1H3,(H2,19,20,24)
InChIKeyCBOXOJSBAHEDJQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.11
Rot. Bonds5

About ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate

ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate (PubChem CID 60577223) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate
PubChem CID60577223
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2ccc(NC(=O)NC3CCCC3)cc2)n1
InChIInChI=1S/C18H22N4O3/c1-2-25-17(23)16-11-12-22(21-16)15-9-7-14(8-10-15)20-18(24)19-13-5-3-4-6-13/h7-13H,2-6H2,1H3,(H2,19,20,24)
InChIKeyCBOXOJSBAHEDJQ-UHFFFAOYSA-N
XLogP3.11
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]phenyl]pyrazole-3-carboxylate
CID 94654127
ethyl 1-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 86835010
ethyl 1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 154455563
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
ethyl 1-[4-[(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 86841285
ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
CID 67354653
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate (CID 60577223) is ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2ccc(NC(=O)NC3CCCC3)cc2)n1.
What is the InChIKey of ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate?
The InChIKey is CBOXOJSBAHEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-25-17(23)16-11-12-22(21-16)15-9-7-14(8-10-15)20-18(24)19-13-5-3-4-6-13/h7-13H,2-6H2,1H3,(H2,19,20,24).
What are the key properties of ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate?
ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 60577223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).