N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine

C16H23N3 — CID 65195286

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H23N3/c1-3-17-16(15-12-18-19(2)13-15)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3
InChIKeyPWRMDZDSURPSJP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.09
Rot. Bonds7

About N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine

N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine (PubChem CID 65195286) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
PubChem CID65195286
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H23N3/c1-3-17-16(15-12-18-19(2)13-15)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3
InChIKeyPWRMDZDSURPSJP-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-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-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
[1-(1-ethylpyrazol-4-yl)-4-phenylbutyl]hydrazine
CID 105289896
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine
CID 65195228
N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65195617
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186
N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 112735791
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
CID 105139820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine (CID 65195286) is N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)c1cnn(C)c1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine?
The InChIKey is PWRMDZDSURPSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-17-16(15-12-18-19(2)13-15)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 65195286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).