1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine

C14H25N3 — CID 103753080

IUPAC1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCCn1cc(CNCC2(C)CCCCC2)cn1
InChIInChI=1S/C14H25N3/c1-3-17-11-13(10-16-17)9-15-12-14(2)7-5-4-6-8-14/h10-11,15H,3-9,12H2,1-2H3
InChIKeyZXBBDMUVRJWQSN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine

1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine (PubChem CID 103753080) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
PubChem CID103753080
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCCn1cc(CNCC2(C)CCCCC2)cn1
InChIInChI=1S/C14H25N3/c1-3-17-11-13(10-16-17)9-15-12-14(2)7-5-4-6-8-14/h10-11,15H,3-9,12H2,1-2H3
InChIKeyZXBBDMUVRJWQSN-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
1-(1-ethylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957579
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893
1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753060
[1-[[(1-ethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479607
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 97337095
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 103741109
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
CID 63821994

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine (CID 103753080) is 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine is CCn1cc(CNCC2(C)CCCCC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The InChIKey is ZXBBDMUVRJWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-17-11-13(10-16-17)9-15-12-14(2)7-5-4-6-8-14/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 103753080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).