1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide

C13H24N6O — CID 63758205

IUPAC1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NCCCN2CCNCC2)c1C(N)=O
InChIInChI=1S/C13H24N6O/c1-10-11(12(14)20)13(18(2)17-10)16-4-3-7-19-8-5-15-6-9-19/h15-16H,3-9H2,1-2H3,(H2,14,20)
InChIKeyRADBORPPDNLLII-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.47
Rot. Bonds6

About 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide

1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide (PubChem CID 63758205) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide
PubChem CID63758205
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NCCCN2CCNCC2)c1C(N)=O
InChIInChI=1S/C13H24N6O/c1-10-11(12(14)20)13(18(2)17-10)16-4-3-7-19-8-5-15-6-9-19/h15-16H,3-9H2,1-2H3,(H2,14,20)
InChIKeyRADBORPPDNLLII-UHFFFAOYSA-N
XLogP-0.47
TPSA88.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide
CID 63757857
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516
7-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]heptanoic acid
CID 63757140
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
CID 63756272
2-methyl-N-(3-piperazin-1-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119394606
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
ethyl 4-[(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)amino]butanoate
CID 64575628
2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162044
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
N-(3-piperazin-1-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119394475
3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide
CID 82810071

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide (CID 63758205) is 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide is Cc1nn(C)c(NCCCN2CCNCC2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide?
The InChIKey is RADBORPPDNLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-10-11(12(14)20)13(18(2)17-10)16-4-3-7-19-8-5-15-6-9-19/h15-16H,3-9H2,1-2H3,(H2,14,20).
What are the key properties of 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide?
1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide has a molecular weight of 280.38 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 63758205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).