N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine

C17H30ClN3 — CID 81032835

IUPACN-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C17H30ClN3/c1-5-15-17(18)16(21(4)20-15)10-14-9-12(3)7-8-13(14)11-19-6-2/h12-14,19H,5-11H2,1-4H3
InChIKeyYHWVSDQEPBMIDI-UHFFFAOYSA-N
MW311.90 g/mol
LogP3.84
Rot. Bonds6

About N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine

N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 81032835) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
PubChem CID81032835
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC NameN-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C17H30ClN3/c1-5-15-17(18)16(21(4)20-15)10-14-9-12(3)7-8-13(14)11-19-6-2/h12-14,19H,5-11H2,1-4H3
InChIKeyYHWVSDQEPBMIDI-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026193
1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032643
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469545
N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81034972
N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031877
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106010533
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562690
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81032336
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451690
1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025388

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine (CID 81032835) is N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1Cc1c(Cl)c(CC)nn1C.
What is the InChIKey of N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is YHWVSDQEPBMIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-5-15-17(18)16(21(4)20-15)10-14-9-12(3)7-8-13(14)11-19-6-2/h12-14,19H,5-11H2,1-4H3.
What are the key properties of N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 311.90 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81032835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).