1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine

C15H27N3 — CID 105176375

IUPAC1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nc(C)cc1C(NC)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-4-18-14(11-12(2)17-18)15(16-3)13-9-7-5-6-8-10-13/h11,13,15-16H,4-10H2,1-3H3
InChIKeyQDPHJVUFWLMFDK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.44
Rot. Bonds4

About 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine

1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 105176375) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
PubChem CID105176375
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nc(C)cc1C(NC)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-4-18-14(11-12(2)17-18)15(16-3)13-9-7-5-6-8-10-13/h11,13,15-16H,4-10H2,1-3H3
InChIKeyQDPHJVUFWLMFDK-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105079431
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105282054
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164771
1-cycloheptyl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82932122
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 105155982
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine (CID 105176375) is 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine is CCn1nc(C)cc1C(NC)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is QDPHJVUFWLMFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-18-14(11-12(2)17-18)15(16-3)13-9-7-5-6-8-10-13/h11,13,15-16H,4-10H2,1-3H3.
What are the key properties of 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine?
1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105176375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).