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

C16H28ClN3 — CID 81026193

IUPAC1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCCc1nn(C)c(CC2CC(C)CCC2CNC)c1Cl
InChIInChI=1S/C16H28ClN3/c1-5-14-16(17)15(20(4)19-14)9-13-8-11(2)6-7-12(13)10-18-3/h11-13,18H,5-10H2,1-4H3
InChIKeyZPTUKDUQFOOBIO-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.45
Rot. Bonds5

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

1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 81026193) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID81026193
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCCc1nn(C)c(CC2CC(C)CCC2CNC)c1Cl
InChIInChI=1S/C16H28ClN3/c1-5-14-16(17)15(20(4)19-14)9-13-8-11(2)6-7-12(13)10-18-3/h11-13,18H,5-10H2,1-4H3
InChIKeyZPTUKDUQFOOBIO-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81032835
1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032643
1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025388
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469545
N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059268
1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026182
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023800
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451690
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 112574806
4-chloro-5-[(3-chlorocyclohepten-1-yl)methyl]-3-ethyl-1-methylpyrazole
CID 107384041

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine (CID 81026193) is 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine is CCc1nn(C)c(CC2CC(C)CCC2CNC)c1Cl.
What is the InChIKey of 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is ZPTUKDUQFOOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-5-14-16(17)15(20(4)19-14)9-13-8-11(2)6-7-12(13)10-18-3/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 297.87 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81026193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).