3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole

C14H14FN5 — CID 56701003

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole
SMILESCc1n[nH]c(C)c1Cc1nncn1-c1cccc(F)c1
InChIInChI=1S/C14H14FN5/c1-9-13(10(2)18-17-9)7-14-19-16-8-20(14)12-5-3-4-11(15)6-12/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyXPWKCMKWGRCKIO-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.34
Rot. Bonds3

About 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole

3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole (PubChem CID 56701003) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole
PubChem CID56701003
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole
SMILESCc1n[nH]c(C)c1Cc1nncn1-c1cccc(F)c1
InChIInChI=1S/C14H14FN5/c1-9-13(10(2)18-17-9)7-14-19-16-8-20(14)12-5-3-4-11(15)6-12/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyXPWKCMKWGRCKIO-UHFFFAOYSA-N
XLogP2.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole 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

3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 56719692
4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
CID 56712174
2-bromo-6-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 167494986
2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475767
3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
CID 82472525
(3S,5S)-5-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 156500367
(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol
CID 95215775
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(3-fluorophenyl)azetidin-1-yl]ethanone
CID 136529373
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole (CID 56701003) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole is Cc1n[nH]c(C)c1Cc1nncn1-c1cccc(F)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole?
The InChIKey is XPWKCMKWGRCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-9-13(10(2)18-17-9)7-14-19-16-8-20(14)12-5-3-4-11(15)6-12/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole has a molecular weight of 271.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 56701003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).