4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide

C13H20N6O — CID 19620393

IUPAC4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2nn(C)cc2N)n1
InChIInChI=1S/C13H20N6O/c1-9-7-10(2)19(16-9)6-4-5-15-13(20)12-11(14)8-18(3)17-12/h7-8H,4-6,14H2,1-3H3,(H,15,20)
InChIKeyJJWQOLAGHZWTTR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.64
Rot. Bonds5

About 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19620393) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
PubChem CID19620393
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2nn(C)cc2N)n1
InChIInChI=1S/C13H20N6O/c1-9-7-10(2)19(16-9)6-4-5-15-13(20)12-11(14)8-18(3)17-12/h7-8H,4-6,14H2,1-3H3,(H,15,20)
InChIKeyJJWQOLAGHZWTTR-UHFFFAOYSA-N
XLogP0.64
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262015
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620405
4-amino-1-methyl-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19620402
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
2-amino-6-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536102
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536108
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide (CID 19620393) is 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2nn(C)cc2N)n1.
What is the InChIKey of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is JJWQOLAGHZWTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-7-10(2)19(16-9)6-4-5-15-13(20)12-11(14)8-18(3)17-12/h7-8H,4-6,14H2,1-3H3,(H,15,20).
What are the key properties of 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19620393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).