2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile

C10H7FN4 — CID 125449171

IUPAC2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2cn[nH]c2)ccc1F
InChIInChI=1S/C10H7FN4/c11-10-2-1-8(3-7(10)4-12)15-9-5-13-14-6-9/h1-3,5-6,15H,(H,13,14)
InChIKeyASNWOWDKBWQCCD-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.16
Rot. Bonds2

About 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile

2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile (PubChem CID 125449171) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
PubChem CID125449171
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2cn[nH]c2)ccc1F
InChIInChI=1S/C10H7FN4/c11-10-2-1-8(3-7(10)4-12)15-9-5-13-14-6-9/h1-3,5-6,15H,(H,13,14)
InChIKeyASNWOWDKBWQCCD-UHFFFAOYSA-N
XLogP2.16
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
5-anilino-2-fluorobenzonitrile
CID 166901089
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
5-[(2-chloro-4-pyridinyl)amino]-2-fluorobenzonitrile
CID 102824174
5-(3-amino-5-fluoroanilino)-2-fluorobenzonitrile
CID 55057774
5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 55057972
5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile
CID 114400169
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
5-(3-amino-5-methoxyanilino)-2-fluorobenzonitrile
CID 80739754
5-(3-amino-5-methylanilino)-2-fluorobenzonitrile
CID 112647670

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile?
The IUPAC name of 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile (CID 125449171) is 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile?
The canonical SMILES for 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile is N#Cc1cc(Nc2cn[nH]c2)ccc1F.
What is the InChIKey of 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile?
The InChIKey is ASNWOWDKBWQCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c11-10-2-1-8(3-7(10)4-12)15-9-5-13-14-6-9/h1-3,5-6,15H,(H,13,14).
What are the key properties of 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile?
2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile has a molecular weight of 202.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile is sourced from PubChem (CID 125449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).