1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C15H20ClN3 — CID 115808288

IUPAC1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2cc(C)cc(Cl)c2)cn1
InChIInChI=1S/C15H20ClN3/c1-4-5-19-10-13(9-18-19)15(17-3)12-6-11(2)7-14(16)8-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyIMJPDHSOYNIGNH-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115808288) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID115808288
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2cc(C)cc(Cl)c2)cn1
InChIInChI=1S/C15H20ClN3/c1-4-5-19-10-13(9-18-19)15(17-3)12-6-11(2)7-14(16)8-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyIMJPDHSOYNIGNH-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807987
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
N-methyl-1-(5-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807050
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
1-(4-bromo-3-fluorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807266
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 115808288) is 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2cc(C)cc(Cl)c2)cn1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is IMJPDHSOYNIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-5-19-10-13(9-18-19)15(17-3)12-6-11(2)7-14(16)8-12/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 277.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115808288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).