2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile

C13H13FN4 — CID 64975375

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile
SMILESCc1n[nH]c(C)c1C(C#N)Nc1ccccc1F
InChIInChI=1S/C13H13FN4/c1-8-13(9(2)18-17-8)12(7-15)16-11-6-4-3-5-10(11)14/h3-6,12,16H,1-2H3,(H,17,18)
InChIKeyFACVKUURRSKCDO-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.84
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile (PubChem CID 64975375) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile
PubChem CID64975375
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile
SMILESCc1n[nH]c(C)c1C(C#N)Nc1ccccc1F
InChIInChI=1S/C13H13FN4/c1-8-13(9(2)18-17-8)12(7-15)16-11-6-4-3-5-10(11)14/h3-6,12,16H,1-2H3,(H,17,18)
InChIKeyFACVKUURRSKCDO-UHFFFAOYSA-N
XLogP2.84
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propan-2-ylamino)acetonitrile
CID 64975300
2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
CID 54887309
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 61006470
2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
CID 61006567
2-(5-bromothiophen-2-yl)-2-(2-fluoroanilino)acetonitrile
CID 61347389
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylamino)acetonitrile
CID 64975165
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
2-(2-fluoroanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62094989
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]azanium
CID 7219711
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 77084684

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile (CID 64975375) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile is Cc1n[nH]c(C)c1C(C#N)Nc1ccccc1F.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile?
The InChIKey is FACVKUURRSKCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-8-13(9(2)18-17-8)12(7-15)16-11-6-4-3-5-10(11)14/h3-6,12,16H,1-2H3,(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile has a molecular weight of 244.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile is sourced from PubChem (CID 64975375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).