2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine

C9H17N3O — CID 177061594

IUPAC2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine
SMILESCc1c(COC(C)C)nn(C)c1N
InChIInChI=1S/C9H17N3O/c1-6(2)13-5-8-7(3)9(10)12(4)11-8/h6H,5,10H2,1-4H3
InChIKeyUOXYRYFNWIGVBV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds3

About 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine

2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine (PubChem CID 177061594) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine
PubChem CID177061594
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine
SMILESCc1c(COC(C)C)nn(C)c1N
InChIInChI=1S/C9H17N3O/c1-6(2)13-5-8-7(3)9(10)12(4)11-8/h6H,5,10H2,1-4H3
InChIKeyUOXYRYFNWIGVBV-UHFFFAOYSA-N
XLogP1.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine
CID 177061670
2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
CID 104605296
2,4-dimethyl-5-nonylpyrazol-3-amine
CID 65426344
4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
CID 83910403
3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
CID 165492413
3-bromo-1-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazole
CID 83895889
N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine
CID 62194625
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
1-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117192815
1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552607
4-chloro-1-ethyl-3-(propan-2-yloxymethyl)pyrazole
CID 122170565
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine?
The IUPAC name of 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine (CID 177061594) is 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine.
What is the SMILES notation for 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine?
The canonical SMILES for 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine is Cc1c(COC(C)C)nn(C)c1N.
What is the InChIKey of 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine?
The InChIKey is UOXYRYFNWIGVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)13-5-8-7(3)9(10)12(4)11-8/h6H,5,10H2,1-4H3.
What are the key properties of 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine?
2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine has a molecular weight of 183.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine is sourced from PubChem (CID 177061594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).