2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

C16H28ClN3O — CID 116766208

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H28ClN3O/c1-5-20-13(15(17)12(3)19-20)10-14(18)16(21-4)8-6-11(2)7-9-16/h11,14H,5-10,18H2,1-4H3
InChIKeyCRMBTQZUSCVGES-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.33
Rot. Bonds5

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (PubChem CID 116766208) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
PubChem CID116766208
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCn1nc(C)c(Cl)c1CC(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H28ClN3O/c1-5-20-13(15(17)12(3)19-20)10-14(18)16(21-4)8-6-11(2)7-9-16/h11,14H,5-10,18H2,1-4H3
InChIKeyCRMBTQZUSCVGES-UHFFFAOYSA-N
XLogP3.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764431
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766289
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 113432771
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116604048
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 79492047
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (CID 116766208) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is CCn1nc(C)c(Cl)c1CC(N)C1(OC)CCC(C)CC1.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The InChIKey is CRMBTQZUSCVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-5-20-13(15(17)12(3)19-20)10-14(18)16(21-4)8-6-11(2)7-9-16/h11,14H,5-10,18H2,1-4H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine has a molecular weight of 313.87 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116766208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).