1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

C17H24ClN3 — CID 103030397

IUPAC1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H24ClN3/c1-4-10-19-17(8-6-15-9-11-20-21(15)3)14-5-7-16(18)13(2)12-14/h5,7,9,11-12,17,19H,4,6,8,10H2,1-3H3
InChIKeyRWLBTBWOCCSMOV-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.06
Rot. Bonds7

About 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 103030397) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID103030397
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H24ClN3/c1-4-10-19-17(8-6-15-9-11-20-21(15)3)14-5-7-16(18)13(2)12-14/h5,7,9,11-12,17,19H,4,6,8,10H2,1-3H3
InChIKeyRWLBTBWOCCSMOV-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030404
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103010217
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103217868

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (CID 103030397) is 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccnn1C)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is RWLBTBWOCCSMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-10-19-17(8-6-15-9-11-20-21(15)3)14-5-7-16(18)13(2)12-14/h5,7,9,11-12,17,19H,4,6,8,10H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).