3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine

C15H27N3 — CID 107462402

IUPAC3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC1CCCC(CC)CC1
InChIInChI=1S/C15H27N3/c1-4-12-7-6-8-13(10-9-12)16-15-11-18(3)17-14(15)5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyASVAARHTJIBYBR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.75
Rot. Bonds4

About 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine

3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine (PubChem CID 107462402) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine
PubChem CID107462402
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC1CCCC(CC)CC1
InChIInChI=1S/C15H27N3/c1-4-12-7-6-8-13(10-9-12)16-15-11-18(3)17-14(15)5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyASVAARHTJIBYBR-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
CID 107462403
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 107462340
N-cyclopentyl-1,3-diethylpyrazol-4-amine
CID 69088847
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
[(4-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
CID 102813126
N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine
CID 43535007
1-ethyl-N-(4-ethylcycloheptyl)pyrazol-4-amine
CID 65083881
N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
CID 81292619
4-ethyl-N-(2-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65084436
4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine
CID 83167821

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine (CID 107462402) is 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC1CCCC(CC)CC1.
What is the InChIKey of 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine?
The InChIKey is ASVAARHTJIBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-12-7-6-8-13(10-9-12)16-15-11-18(3)17-14(15)5-2/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine?
3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 107462402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).