N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine

C16H23N3 — CID 62730349

IUPACN-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1cnn(Cc2cccc(C)c2)c1
InChIInChI=1S/C16H23N3/c1-4-16(17-5-2)15-10-18-19(12-15)11-14-8-6-7-13(3)9-14/h6-10,12,16-17H,4-5,11H2,1-3H3
InChIKeyPQIXZVXDJQPVBU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine

N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 62730349) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID62730349
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1cnn(Cc2cccc(C)c2)c1
InChIInChI=1S/C16H23N3/c1-4-16(17-5-2)15-10-18-19(12-15)11-14-8-6-7-13(3)9-14/h6-10,12,16-17H,4-5,11H2,1-3H3
InChIKeyPQIXZVXDJQPVBU-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]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

1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105104098
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729800
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 62731966
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 62730349) is N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is CCNC(CC)c1cnn(Cc2cccc(C)c2)c1.
What is the InChIKey of N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is PQIXZVXDJQPVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-16(17-5-2)15-10-18-19(12-15)11-14-8-6-7-13(3)9-14/h6-10,12,16-17H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine?
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62730349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).