1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine

C15H27N3 — CID 103778774

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCC1CCCC(C)C1
InChIInChI=1S/C15H27N3/c1-11-6-5-7-14(8-11)9-16-12(2)15-10-18(4)17-13(15)3/h10-12,14,16H,5-9H2,1-4H3
InChIKeyDDTRVTOFOLSBKF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 103778774) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID103778774
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCC1CCCC(C)C1
InChIInChI=1S/C15H27N3/c1-11-6-5-7-14(8-11)9-16-12(2)15-10-18(4)17-13(15)3/h10-12,14,16H,5-9H2,1-4H3
InChIKeyDDTRVTOFOLSBKF-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113262059
1-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 65197077
1-(1,3-dimethylpyrazol-4-yl)-N-(thian-2-ylmethyl)ethanamine
CID 80600445
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 65197237
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103782776
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778780
1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 114262679
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 115712271

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 103778774) is 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine is Cc1nn(C)cc1C(C)NCC1CCCC(C)C1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is DDTRVTOFOLSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11-6-5-7-14(8-11)9-16-12(2)15-10-18(4)17-13(15)3/h10-12,14,16H,5-9H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 103778774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).