ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride

C16H27ClN4O3 — CID 119345896

IUPACethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)C2(N)CCCCC2)cn1.Cl
InChIInChI=1S/C16H26N4O3.ClH/c1-4-23-14(22)15(2,3)20-11-12(10-18-20)19-13(21)16(17)8-6-5-7-9-16;/h10-11H,4-9,17H2,1-3H3,(H,19,21);1H
InChIKeyWAWWJYHLLRKXJL-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride

ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride (PubChem CID 119345896) has the molecular formula C16H27ClN4O3 and a molecular weight of 358.87 g/mol. Its IUPAC name is ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
PubChem CID119345896
Molecular FormulaC16H27ClN4O3
Molecular Weight358.87 g/mol
Exact Mass358.18
IUPAC Nameethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)C2(N)CCCCC2)cn1.Cl
InChIInChI=1S/C16H26N4O3.ClH/c1-4-23-14(22)15(2,3)20-11-12(10-18-20)19-13(21)16(17)8-6-5-7-9-16;/h10-11H,4-9,17H2,1-3H3,(H,19,21);1H
InChIKeyWAWWJYHLLRKXJL-UHFFFAOYSA-N
XLogP2.20
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-(1-ethylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292190
ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119822675
ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate
CID 119345899
1-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 75511870
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
1-amino-N-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 65465915
ethyl 2-[4-[(5-amino-2-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 120639197
ethyl 2-[4-[(3-aminobenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 119822684
ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate
CID 97232682
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
ethyl 1-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]-5-methylpyrazole-4-carboxylate;hydrochloride
CID 119294325

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride (CID 119345896) is ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)(C)n1cc(NC(=O)C2(N)CCCCC2)cn1.Cl.
What is the InChIKey of ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The InChIKey is WAWWJYHLLRKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3.ClH/c1-4-23-14(22)15(2,3)20-11-12(10-18-20)19-13(21)16(17)8-6-5-7-9-16;/h10-11H,4-9,17H2,1-3H3,(H,19,21);1H.
What are the key properties of ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 119345896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).