1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine

C15H26ClN3O — CID 114662031

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1c(Cl)cnn1C)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H26ClN3O/c1-14(2)6-8-15(20-5,9-7-14)13(17-3)12-11(16)10-18-19(12)4/h10,13,17H,6-9H2,1-5H3
InChIKeyFNXAUVKTPFOYQZ-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 114662031) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID114662031
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1c(Cl)cnn1C)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H26ClN3O/c1-14(2)6-8-15(20-5,9-7-14)13(17-3)12-11(16)10-18-19(12)4/h10,13,17H,6-9H2,1-5H3
InChIKeyFNXAUVKTPFOYQZ-UHFFFAOYSA-N
XLogP3.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046816
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 114661940
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114689347
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 114661892
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
(1-methoxy-4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662029
1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 114661992
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114655310
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine (CID 114662031) is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1c(Cl)cnn1C)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is FNXAUVKTPFOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-14(2)6-8-15(20-5,9-7-14)13(17-3)12-11(16)10-18-19(12)4/h10,13,17H,6-9H2,1-5H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 299.85 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 114662031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).