4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine

C18H31N3 — CID 18187663

IUPAC4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(CC2CCC(C)CC2)cc1C1CCNCC1
InChIInChI=1S/C18H31N3/c1-3-21-18(16-8-10-19-11-9-16)13-17(20-21)12-15-6-4-14(2)5-7-15/h13-16,19H,3-12H2,1-2H3
InChIKeyORIBOJBDQLBRJT-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.74
Rot. Bonds4

About 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine

4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine (PubChem CID 18187663) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine
PubChem CID18187663
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(CC2CCC(C)CC2)cc1C1CCNCC1
InChIInChI=1S/C18H31N3/c1-3-21-18(16-8-10-19-11-9-16)13-17(20-21)12-15-6-4-14(2)5-7-15/h13-16,19H,3-12H2,1-2H3
InChIKeyORIBOJBDQLBRJT-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
CID 18187707
4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
CID 18187520
4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
CID 18187705
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187803
1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
CID 105461054
4-[3-[(4-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;4-[3-[(3,4-dichlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;3-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile
CID 158687306
4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
CID 114704999
3-(5-cyclobutyl-1-ethylpyrazol-3-yl)propanoic acid
CID 105479284
4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18187656
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
4-(2-bromo-3-ethylimidazol-4-yl)piperidine
CID 117260024
1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanamine
CID 105461050

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine?
The IUPAC name of 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine (CID 18187663) is 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine is CCn1nc(CC2CCC(C)CC2)cc1C1CCNCC1.
What is the InChIKey of 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine?
The InChIKey is ORIBOJBDQLBRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-21-18(16-8-10-19-11-9-16)13-17(20-21)12-15-6-4-14(2)5-7-15/h13-16,19H,3-12H2,1-2H3.
What are the key properties of 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine?
4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine has a molecular weight of 289.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-3-[(4-methylcyclohexyl)methyl]pyrazol-5-yl]piperidine is sourced from PubChem (CID 18187663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).