1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

C16H28ClN3O — CID 114661992

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H28ClN3O/c1-5-9-20-14(13(17)11-19-20)15(18-3)16(21-4)8-6-7-12(2)10-16/h11-12,15,18H,5-10H2,1-4H3
InChIKeyQJCGMOZOTTXDRP-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.80
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 114661992) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID114661992
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H28ClN3O/c1-5-9-20-14(13(17)11-19-20)15(18-3)16(21-4)8-6-7-12(2)10-16/h11-12,15,18H,5-10H2,1-4H3
InChIKeyQJCGMOZOTTXDRP-UHFFFAOYSA-N
XLogP3.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 114645874
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932
1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767747
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114658243
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 114661940
[(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270313
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (CID 114661992) is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is CCCn1ncc(Cl)c1C(NC)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is QJCGMOZOTTXDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-5-9-20-14(13(17)11-19-20)15(18-3)16(21-4)8-6-7-12(2)10-16/h11-12,15,18H,5-10H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 313.87 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 114661992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).