1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine

C17H24ClN3 — CID 114650522

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1c(Cl)cnn1C)C(C)(C)c1ccccc1
InChIInChI=1S/C17H24ClN3/c1-5-11-19-16(15-14(18)12-20-21(15)4)17(2,3)13-9-7-6-8-10-13/h6-10,12,16,19H,5,11H2,1-4H3
InChIKeyTVAQFKPWTZCRSV-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.09
Rot. Bonds6

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine (PubChem CID 114650522) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
PubChem CID114650522
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1c(Cl)cnn1C)C(C)(C)c1ccccc1
InChIInChI=1S/C17H24ClN3/c1-5-11-19-16(15-14(18)12-20-21(15)4)17(2,3)13-9-7-6-8-10-13/h6-10,12,16,19H,5,11H2,1-4H3
InChIKeyTVAQFKPWTZCRSV-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114653139
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656648
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217742
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 43495094
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114647517
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
2-methyl-1-(1-methylimidazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 63975390
N-[(4-chloro-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114651569

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine (CID 114650522) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine is CCCNC(c1c(Cl)cnn1C)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine?
The InChIKey is TVAQFKPWTZCRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-5-11-19-16(15-14(18)12-20-21(15)4)17(2,3)13-9-7-6-8-10-13/h6-10,12,16,19H,5,11H2,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.09, 6 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)-2-methyl-2-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 114650522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).