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

C22H17FN4 — CID 100766531

IUPAC5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(Cc2ccccc2F)nn(Cc2cccc3ccccc23)c1N
InChIInChI=1S/C22H17FN4/c23-20-11-4-2-7-16(20)12-21-19(13-24)22(25)27(26-21)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-11H,12,14,25H2
InChIKeyCSRHDTDXDIEOJV-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.27
Rot. Bonds4

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

5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (PubChem CID 100766531) has the molecular formula C22H17FN4 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
PubChem CID100766531
Molecular FormulaC22H17FN4
Molecular Weight356.40 g/mol
Exact Mass356.14
IUPAC Name5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(Cc2ccccc2F)nn(Cc2cccc3ccccc23)c1N
InChIInChI=1S/C22H17FN4/c23-20-11-4-2-7-16(20)12-21-19(13-24)22(25)27(26-21)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-11H,12,14,25H2
InChIKeyCSRHDTDXDIEOJV-UHFFFAOYSA-N
XLogP4.27
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766310
5-amino-3-(2-methylpropyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766461
5-amino-3-butyl-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
CID 100766456
5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile
CID 100762155
5-amino-3-[(4-bromophenyl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764754
5-amino-1-[(2-fluorophenyl)methyl]-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 100764700
5-amino-1-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764287
5-amino-1-[(2-fluorophenyl)methyl]-3-phenylmethoxypyrazole-4-carbonitrile
CID 100764765
5-amino-1-butyl-3-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762457
5-amino-1-benzyl-3-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100764085

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (CID 100766531) is 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is N#Cc1c(Cc2ccccc2F)nn(Cc2cccc3ccccc23)c1N.
What is the InChIKey of 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The InChIKey is CSRHDTDXDIEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4/c23-20-11-4-2-7-16(20)12-21-19(13-24)22(25)27(26-21)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-11H,12,14,25H2.
What are the key properties of 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile has a molecular weight of 356.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100766531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).