5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide

C13H22N4O — CID 113355612

IUPAC5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCC2CCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-17-12(14)11(9-16-17)13(18)15-8-4-7-10-5-2-3-6-10/h9-10H,2-8,14H2,1H3,(H,15,18)
InChIKeyLPDHJJINPGGWDN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.70
Rot. Bonds5

About 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide (PubChem CID 113355612) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
PubChem CID113355612
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCC2CCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-17-12(14)11(9-16-17)13(18)15-8-4-7-10-5-2-3-6-10/h9-10H,2-8,14H2,1H3,(H,15,18)
InChIKeyLPDHJJINPGGWDN-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone
CID 65360423
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 139030333
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330664
5-amino-1-methyl-N-(2,2,3-trimethylbutyl)pyrazole-4-carboxamide
CID 102673557
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide (CID 113355612) is 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCCCC2CCCC2)c1N.
What is the InChIKey of 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is LPDHJJINPGGWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-12(14)11(9-16-17)13(18)15-8-4-7-10-5-2-3-6-10/h9-10H,2-8,14H2,1H3,(H,15,18).
What are the key properties of 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113355612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).