1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine

C11H21N3 — CID 165480695

IUPAC1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine
SMILESCc1nn(CC(C)CC(C)C)cc1N
InChIInChI=1S/C11H21N3/c1-8(2)5-9(3)6-14-7-11(12)10(4)13-14/h7-9H,5-6,12H2,1-4H3
InChIKeyIWWVDURGQTVWKT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds4

About 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine

1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine (PubChem CID 165480695) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine
PubChem CID165480695
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine
SMILESCc1nn(CC(C)CC(C)C)cc1N
InChIInChI=1S/C11H21N3/c1-8(2)5-9(3)6-14-7-11(12)10(4)13-14/h7-9H,5-6,12H2,1-4H3
InChIKeyIWWVDURGQTVWKT-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
CID 165472981
1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine
CID 174781515
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
CID 165479986
1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine
CID 175542314
1-[(1-ethyltriazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 165472533
3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine;hydrochloride
CID 71757567
ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 23088347
1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine
CID 165472336
3-(4-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropanenitrile
CID 90104790
3-methyl-1-pentan-3-ylpyrazol-4-amine
CID 79421536

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine (CID 165480695) is 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine is Cc1nn(CC(C)CC(C)C)cc1N.
What is the InChIKey of 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine?
The InChIKey is IWWVDURGQTVWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)5-9(3)6-14-7-11(12)10(4)13-14/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine?
1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 165480695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).