5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile

C19H17FN4O — CID 100766310

IUPAC5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
SMILESCOc1ccc(Cn2nc(Cc3ccccc3F)c(C#N)c2N)cc1
InChIInChI=1S/C19H17FN4O/c1-25-15-8-6-13(7-9-15)12-24-19(22)16(11-21)18(23-24)10-14-4-2-3-5-17(14)20/h2-9H,10,12,22H2,1H3
InChIKeySYGFAISVXAPHIV-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.12
Rot. Bonds5

About 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile

5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile (PubChem CID 100766310) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
PubChem CID100766310
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
SMILESCOc1ccc(Cn2nc(Cc3ccccc3F)c(C#N)c2N)cc1
InChIInChI=1S/C19H17FN4O/c1-25-15-8-6-13(7-9-15)12-24-19(22)16(11-21)18(23-24)10-14-4-2-3-5-17(14)20/h2-9H,10,12,22H2,1H3
InChIKeySYGFAISVXAPHIV-UHFFFAOYSA-N
XLogP3.12
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(4-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764522
5-amino-1-ethyl-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100761997
5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766531
5-amino-1-[(2-fluorophenyl)methyl]-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 100764700
5-amino-3-[(4-bromophenyl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764754
5-amino-1-benzyl-3-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100764085
5-amino-1-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764287
5-amino-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100765180
5-amino-3-[(4-methoxyphenyl)methoxy]-1-[(2-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765549
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
3-amino-5-anilino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 118956532
5-amino-1-benzyl-3-(4-methoxyanilino)pyrazole-4-carbonitrile;benzylhydrazine;dihydrochloride
CID 19610638

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile (CID 100766310) is 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile is COc1ccc(Cn2nc(Cc3ccccc3F)c(C#N)c2N)cc1.
What is the InChIKey of 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile?
The InChIKey is SYGFAISVXAPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-25-15-8-6-13(7-9-15)12-24-19(22)16(11-21)18(23-24)10-14-4-2-3-5-17(14)20/h2-9H,10,12,22H2,1H3.
What are the key properties of 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile?
5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile has a molecular weight of 336.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 100766310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).