1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine

C18H31N3 — CID 64779878

IUPAC1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccn(C3CCCCC3)n2)CCCCC1
InChIInChI=1S/C18H31N3/c1-19-15-18(11-6-3-7-12-18)14-16-10-13-21(20-16)17-8-4-2-5-9-17/h10,13,17,19H,2-9,11-12,14-15H2,1H3
InChIKeyRAVSWNQSMBCRRY-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.10
Rot. Bonds5

About 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 64779878) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID64779878
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccn(C3CCCCC3)n2)CCCCC1
InChIInChI=1S/C18H31N3/c1-19-15-18(11-6-3-7-12-18)14-16-10-13-21(20-16)17-8-4-2-5-9-17/h10,13,17,19H,2-9,11-12,14-15H2,1H3
InChIKeyRAVSWNQSMBCRRY-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 64778892
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65394733
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine (CID 64779878) is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine is CNCC1(Cc2ccn(C3CCCCC3)n2)CCCCC1.
What is the InChIKey of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is RAVSWNQSMBCRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-19-15-18(11-6-3-7-12-18)14-16-10-13-21(20-16)17-8-4-2-5-9-17/h10,13,17,19H,2-9,11-12,14-15H2,1H3.
What are the key properties of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine?
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 289.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 64779878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).