1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine

C15H20ClN3 — CID 105186017

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccccc1C)c1c(Cl)cnn1C
InChIInChI=1S/C15H20ClN3/c1-11-6-4-5-7-12(11)8-9-14(17-2)15-13(16)10-18-19(15)3/h4-7,10,14,17H,8-9H2,1-3H3
InChIKeyCTMDMGLBUYAPMN-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 105186017) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine
PubChem CID105186017
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccccc1C)c1c(Cl)cnn1C
InChIInChI=1S/C15H20ClN3/c1-11-6-4-5-7-12(11)8-9-14(17-2)15-13(16)10-18-19(15)3/h4-7,10,14,17H,8-9H2,1-3H3
InChIKeyCTMDMGLBUYAPMN-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105186111
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105396940
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114648465
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 112742517
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184130
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648390
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105183735
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 105046655

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine (CID 105186017) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine is CNC(CCc1ccccc1C)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is CTMDMGLBUYAPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-6-4-5-7-12(11)8-9-14(17-2)15-13(16)10-18-19(15)3/h4-7,10,14,17H,8-9H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105186017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).