N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline

C12H14FN3 — CID 762793

IUPACN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline
SMILESCc1cc(C)n(CNc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-9-7-10(2)16(15-9)8-14-12-5-3-11(13)4-6-12/h3-7,14H,8H2,1-2H3
InChIKeyCSWZAPGOLPQUJR-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.71
Rot. Bonds3

About N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline

N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline (PubChem CID 762793) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline
PubChem CID762793
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline
SMILESCc1cc(C)n(CNc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3/c1-9-7-10(2)16(15-9)8-14-12-5-3-11(13)4-6-12/h3-7,14H,8H2,1-2H3
InChIKeyCSWZAPGOLPQUJR-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline 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-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
CID 86240753
N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline
CID 17325363
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)propan-1-amine
CID 115706688
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9416563
1-ethyl-3,5-dimethylpyrazole
CID 565993
3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
CID 122404054
[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 54970732
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-fluorobenzoic acid
CID 103791396
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline (CID 762793) is N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline is Cc1cc(C)n(CNc2ccc(F)cc2)n1.
What is the InChIKey of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline?
The InChIKey is CSWZAPGOLPQUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-7-10(2)16(15-9)8-14-12-5-3-11(13)4-6-12/h3-7,14H,8H2,1-2H3.
What are the key properties of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline?
N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline has a molecular weight of 219.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 762793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).