N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine

C16H29N3 — CID 105156073

IUPACN-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nn1C)C1CCCC(CC)C1
InChIInChI=1S/C16H29N3/c1-5-13-8-7-9-14(11-13)16(17-6-2)15-10-12(3)18-19(15)4/h10,13-14,16-17H,5-9,11H2,1-4H3
InChIKeyWKWXQFFQZSCTBW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.60
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine

N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine (PubChem CID 105156073) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
PubChem CID105156073
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nn1C)C1CCCC(CC)C1
InChIInChI=1S/C16H29N3/c1-5-13-8-7-9-14(11-13)16(17-6-2)15-10-12(3)18-19(15)4/h10,13-14,16-17H,5-9,11H2,1-4H3
InChIKeyWKWXQFFQZSCTBW-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 105155834
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 105155982
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103
N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992274
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170671
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
[2-cyclopentyl-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105299111

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine (CID 105156073) is N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine is CCNC(c1cc(C)nn1C)C1CCCC(CC)C1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is WKWXQFFQZSCTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-13-8-7-9-14(11-13)16(17-6-2)15-10-12(3)18-19(15)4/h10,13-14,16-17H,5-9,11H2,1-4H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine?
N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 105156073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).