N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine

C14H18ClN3 — CID 79484639

IUPACN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-10(2)16-8-12-9-18(3)17-14(12)11-5-4-6-13(15)7-11/h4-7,9-10,16H,8H2,1-3H3
InChIKeyMYQUSEFSOXHMPU-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.24
Rot. Bonds4

About N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79484639) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID79484639
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-10(2)16-8-12-9-18(3)17-14(12)11-5-4-6-13(15)7-11/h4-7,9-10,16H,8H2,1-3H3
InChIKeyMYQUSEFSOXHMPU-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-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

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492888
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485539
N-[[3-(5-chlorothiophen-3-yl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 114083068
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
CID 42160252
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine;hydrochloride
CID 47612776
3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 95880993
N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 42529841
1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096770

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine (CID 79484639) is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is MYQUSEFSOXHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(2)16-8-12-9-18(3)17-14(12)11-5-4-6-13(15)7-11/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79484639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).