1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine

C15H27N3 — CID 104955891

IUPAC1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H27N3/c1-10(2)13-7-6-11(3)8-14(13)16-15-9-18(5)17-12(15)4/h9-11,13-14,16H,6-8H2,1-5H3
InChIKeyHWTBOQHWQVTBDW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.60
Rot. Bonds3

About 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine

1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine (PubChem CID 104955891) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
PubChem CID104955891
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H27N3/c1-10(2)13-7-6-11(3)8-14(13)16-15-9-18(5)17-12(15)4/h9-11,13-14,16H,6-8H2,1-5H3
InChIKeyHWTBOQHWQVTBDW-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103562440
N-(1,3-dimethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 102804021
2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-nitroaniline
CID 43719610
1,3-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-4-amine
CID 104955825
N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine
CID 104955922
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43102820
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 104629202
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81333722
3-fluoro-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 79055587
N-(3-cyclopropylcyclohexyl)-1,3-dimethylpyrazol-4-amine
CID 104955790
1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 102804176
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine (CID 104955891) is 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine is Cc1nn(C)cc1NC1CC(C)CCC1C(C)C.
What is the InChIKey of 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
The InChIKey is HWTBOQHWQVTBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(2)13-7-6-11(3)8-14(13)16-15-9-18(5)17-12(15)4/h9-11,13-14,16H,6-8H2,1-5H3.
What are the key properties of 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine?
1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine is sourced from PubChem (CID 104955891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).