3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile

C13H10FN3 — CID 139368679

IUPAC3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cn[nH]c2C2CC2)c1
InChIInChI=1S/C13H10FN3/c14-11-4-8(6-15)3-10(5-11)12-7-16-17-13(12)9-1-2-9/h3-5,7,9H,1-2H2,(H,16,17)
InChIKeyZNMZXHPWDNQVGK-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.96
Rot. Bonds2

About 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile

3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile (PubChem CID 139368679) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile
PubChem CID139368679
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cn[nH]c2C2CC2)c1
InChIInChI=1S/C13H10FN3/c14-11-4-8(6-15)3-10(5-11)12-7-16-17-13(12)9-1-2-9/h3-5,7,9H,1-2H2,(H,16,17)
InChIKeyZNMZXHPWDNQVGK-UHFFFAOYSA-N
XLogP2.96
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990840
3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990846
3-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-5-fluorobenzonitrile
CID 105409033
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 115053603
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
3-fluoro-5-pyridin-3-ylbenzonitrile
CID 46315568
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
CID 172990845
(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
3-(2,4-dimethoxyphenyl)-5-fluorobenzonitrile
CID 172990799

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile?
The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile (CID 139368679) is 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile is N#Cc1cc(F)cc(-c2cn[nH]c2C2CC2)c1.
What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile?
The InChIKey is ZNMZXHPWDNQVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-11-4-8(6-15)3-10(5-11)12-7-16-17-13(12)9-1-2-9/h3-5,7,9H,1-2H2,(H,16,17).
What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile?
3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-pyrazol-4-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 139368679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).