N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine

C14H18FN3 — CID 61273138

IUPACN-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H18FN3/c1-4-16-10(2)14-9-17-18(11(14)3)13-7-5-12(15)6-8-13/h5-10,16H,4H2,1-3H3
InChIKeyCRBNBSUNDVULBW-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.99
Rot. Bonds4

About N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine

N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine (PubChem CID 61273138) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
PubChem CID61273138
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H18FN3/c1-4-16-10(2)14-9-17-18(11(14)3)13-7-5-12(15)6-8-13/h5-10,16H,4H2,1-3H3
InChIKeyCRBNBSUNDVULBW-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine 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

(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 94962216
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95191019
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine
CID 133418207
N-[1-[5-methyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79204322
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 61271924
1-[1-(2-bromophenyl)-5-methylpyrazol-4-yl]-N-ethylethanamine
CID 61272128
2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 75444197
2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide
CID 56549901
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45226568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine (CID 61273138) is N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine is CCNC(C)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is CRBNBSUNDVULBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-16-10(2)14-9-17-18(11(14)3)13-7-5-12(15)6-8-13/h5-10,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 61273138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).