3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine

C13H23N5 — CID 163636469

IUPAC3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(N)n1.Cc1ccn(C(C)C)n1
InChIInChI=1S/C7H12N2.C6H11N3/c1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-3-6(7)8-9/h4-6H,1-3H3;3-5H,1-2H3,(H2,7,8)
InChIKeyIANJQRHYBIEHJY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds2

About 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine

3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine (PubChem CID 163636469) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine
PubChem CID163636469
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(N)n1.Cc1ccn(C(C)C)n1
InChIInChI=1S/C7H12N2.C6H11N3/c1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-3-6(7)8-9/h4-6H,1-3H3;3-5H,1-2H3,(H2,7,8)
InChIKeyIANJQRHYBIEHJY-UHFFFAOYSA-N
XLogP2.82
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-2'h-[1,3']bipyrazolyl
CID 12560594
N,N,1,3-tetramethyl-4-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyrazol-5-amine
CID 53569563
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
1-(butan-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 19619852
1-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 60808842
N-ethyl-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(1H-pyrazol-1-yl)ethanamine
CID 91831244
[1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
CID 70851823
4-Fluoro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
CID 89032514
4-Fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 89032531
1-[1-(Difluoromethyl)-3-methylpyrazol-4-yl]pyrazol-3-amine
CID 134589190
1-(1-Methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine (CID 163636469) is 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine is CC(C)n1ccc(N)n1.Cc1ccn(C(C)C)n1.
What is the InChIKey of 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine?
The InChIKey is IANJQRHYBIEHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H11N3/c1-6(2)9-5-4-7(3)8-9;1-5(2)9-4-3-6(7)8-9/h4-6H,1-3H3;3-5H,1-2H3,(H2,7,8).
What are the key properties of 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine?
3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine has a molecular weight of 249.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpyrazole;1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 163636469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).