ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride

C18H23ClN4O3 — CID 119779889

IUPACethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccn(-c2ccccc2NC(=O)C2CCC(N)C2)n1.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-2-25-18(24)15-9-10-22(21-15)16-6-4-3-5-14(16)20-17(23)12-7-8-13(19)11-12;/h3-6,9-10,12-13H,2,7-8,11,19H2,1H3,(H,20,23);1H
InChIKeyVRFWLCGCEQWAJA-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.54
Rot. Bonds5

About ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride

ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride (PubChem CID 119779889) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride
PubChem CID119779889
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Nameethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccn(-c2ccccc2NC(=O)C2CCC(N)C2)n1.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-2-25-18(24)15-9-10-22(21-15)16-6-4-3-5-14(16)20-17(23)12-7-8-13(19)11-12;/h3-6,9-10,12-13H,2,7-8,11,19H2,1H3,(H,20,23);1H
InChIKeyVRFWLCGCEQWAJA-UHFFFAOYSA-N
XLogP2.54
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119779895
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ethyl 1-[2-[4-(methylamino)butanoylamino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779887
1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
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3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 119206700
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119797989

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride (CID 119779889) is ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride is CCOC(=O)c1ccn(-c2ccccc2NC(=O)C2CCC(N)C2)n1.Cl.
What is the InChIKey of ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride?
The InChIKey is VRFWLCGCEQWAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c1-2-25-18(24)15-9-10-22(21-15)16-6-4-3-5-14(16)20-17(23)12-7-8-13(19)11-12;/h3-6,9-10,12-13H,2,7-8,11,19H2,1H3,(H,20,23);1H.
What are the key properties of ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride?
ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 119779889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).