N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide

C13H22N4O — CID 106737336

IUPACN-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CCCC2)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-11(8-15-17(9)2)13(18)16-12(7-14)10-5-3-4-6-10/h8,10,12H,3-7,14H2,1-2H3,(H,16,18)
InChIKeyJODARCOUWMPZRI-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 106737336) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID106737336
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CCCC2)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-11(8-15-17(9)2)13(18)16-12(7-14)10-5-3-4-6-10/h8,10,12H,3-7,14H2,1-2H3,(H,16,18)
InChIKeyJODARCOUWMPZRI-UHFFFAOYSA-N
XLogP0.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cyclohexylpropyl]-1,5-dimethylpyrazole-4-carboxamide
CID 95288937
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114
N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119590475
N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119614921
N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119589030
N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63258060
N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 119615000
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopentylethyl)-2,5-dimethylfuran-3-carboxamide
CID 106737497
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119590449
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide (CID 106737336) is N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NC(CN)C2CCCC2)cnn1C.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JODARCOUWMPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-11(8-15-17(9)2)13(18)16-12(7-14)10-5-3-4-6-10/h8,10,12H,3-7,14H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 106737336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).