3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide

C19H26N4O — CID 119797181

IUPAC3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1ccc(-n2nc(C(C)C)cc2NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C19H26N4O/c1-12(2)17-11-18(21-19(24)14-6-7-15(20)10-14)23(22-17)16-8-4-13(3)5-9-16/h4-5,8-9,11-12,14-15H,6-7,10,20H2,1-3H3,(H,21,24)
InChIKeyOCUKSPFHCDUWMI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.37
Rot. Bonds4

About 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide

3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide (PubChem CID 119797181) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
PubChem CID119797181
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
SMILESCc1ccc(-n2nc(C(C)C)cc2NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C19H26N4O/c1-12(2)17-11-18(21-19(24)14-6-7-15(20)10-14)23(22-17)16-8-4-13(3)5-9-16/h4-5,8-9,11-12,14-15H,6-7,10,20H2,1-3H3,(H,21,24)
InChIKeyOCUKSPFHCDUWMI-UHFFFAOYSA-N
XLogP3.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119778014
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide
CID 119797189
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 66031864
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride
CID 119797176
3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
CID 119729398
N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119797179
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-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide (CID 119797181) is 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide is Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
The InChIKey is OCUKSPFHCDUWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)17-11-18(21-19(24)14-6-7-15(20)10-14)23(22-17)16-8-4-13(3)5-9-16/h4-5,8-9,11-12,14-15H,6-7,10,20H2,1-3H3,(H,21,24).
What are the key properties of 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119797181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).