N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine

C15H21N3 — CID 54980019

IUPACN-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C15H21N3/c1-4-9-16-12(2)13-5-7-14(8-6-13)15-10-17-18(3)11-15/h5-8,10-12,16H,4,9H2,1-3H3
InChIKeyJXDWRZZJEKOSGO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds5

About N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine

N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 54980019) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID54980019
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C15H21N3/c1-4-9-16-12(2)13-5-7-14(8-6-13)15-10-17-18(3)11-15/h5-8,10-12,16H,4,9H2,1-3H3
InChIKeyJXDWRZZJEKOSGO-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-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

N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
N-[1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66010565
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61351168
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
N-[1-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021245
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (CID 54980019) is N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cnn(C)c2)cc1.
What is the InChIKey of N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is JXDWRZZJEKOSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-9-16-12(2)13-5-7-14(8-6-13)15-10-17-18(3)11-15/h5-8,10-12,16H,4,9H2,1-3H3.
What are the key properties of N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 54980019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).