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

C16H22ClN3O — CID 105048904

IUPAC1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H22ClN3O/c1-5-8-20-16(14(21-4)10-19-20)15(18-3)12-6-7-13(17)11(2)9-12/h6-7,9-10,15,18H,5,8H2,1-4H3
InChIKeyZNCPAHACZDSSLZ-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.57
Rot. Bonds6

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

1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105048904) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105048904
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H22ClN3O/c1-5-8-20-16(14(21-4)10-19-20)15(18-3)12-6-7-13(17)11(2)9-12/h6-7,9-10,15,18H,5,8H2,1-4H3
InChIKeyZNCPAHACZDSSLZ-UHFFFAOYSA-N
XLogP3.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047226
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048863
1-(3-bromo-4-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 114659732
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 105048721
N-[(4-chloro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047098
1-(2-chloro-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114650267
1-(5-chlorofuran-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 106693264

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (CID 105048904) is 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is CCCn1ncc(OC)c1C(NC)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is ZNCPAHACZDSSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-5-8-20-16(14(21-4)10-19-20)15(18-3)12-6-7-13(17)11(2)9-12/h6-7,9-10,15,18H,5,8H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105048904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).