3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride

C16H23ClN6O — CID 119778014

IUPAC3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)c1cc(NC(=O)C2CCC(N)C2)n(-c2ncccn2)n1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-10(2)13-9-14(20-15(23)11-4-5-12(17)8-11)22(21-13)16-18-6-3-7-19-16;/h3,6-7,9-12H,4-5,8,17H2,1-2H3,(H,20,23);1H
InChIKeyMTGDCUOEMBUXDL-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.27
Rot. Bonds4

About 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119778014) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119778014
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC Name3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)c1cc(NC(=O)C2CCC(N)C2)n(-c2ncccn2)n1.Cl
InChIInChI=1S/C16H22N6O.ClH/c1-10(2)13-9-14(20-15(23)11-4-5-12(17)8-11)22(21-13)16-18-6-3-7-19-16;/h3,6-7,9-12H,4-5,8,17H2,1-2H3,(H,20,23);1H
InChIKeyMTGDCUOEMBUXDL-UHFFFAOYSA-N
XLogP2.27
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
CID 119797181
3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 66031864
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 119778033
3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119704830
3-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)cyclopentane-1-carboxamide
CID 119808469
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
CID 119842997
3-amino-N-quinoxalin-6-ylcyclopentane-1-carboxamide;hydrochloride
CID 119708395
(E)-3-(2,4-dimethylphenyl)-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)prop-2-enamide
CID 86901419
3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119797989
3-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 119753519

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119778014) is 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is CC(C)c1cc(NC(=O)C2CCC(N)C2)n(-c2ncccn2)n1.Cl.
What is the InChIKey of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is MTGDCUOEMBUXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.ClH/c1-10(2)13-9-14(20-15(23)11-4-5-12(17)8-11)22(21-13)16-18-6-3-7-19-16;/h3,6-7,9-12H,4-5,8,17H2,1-2H3,(H,20,23);1H.
What are the key properties of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119778014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).