1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile

C8H3ClFN5 — CID 162356477

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H3ClFN5/c9-8-12-4-6(10)7(13-8)15-2-1-5(3-11)14-15/h1-2,4H
InChIKeyBRZPDSNBFMWNFA-UHFFFAOYSA-N
MW223.60 g/mol
LogP1.33
Rot. Bonds1

About 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile

1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile (PubChem CID 162356477) has the molecular formula C8H3ClFN5 and a molecular weight of 223.60 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile
PubChem CID162356477
Molecular FormulaC8H3ClFN5
Molecular Weight223.60 g/mol
Exact Mass223.01
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H3ClFN5/c9-8-12-4-6(10)7(13-8)15-2-1-5(3-11)14-15/h1-2,4H
InChIKeyBRZPDSNBFMWNFA-UHFFFAOYSA-N
XLogP1.33
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.60
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)pyrazole-3-carbonitrile
CID 116818280
2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine
CID 79076106
2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79633439
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 67446980
1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile
CID 116818304
2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79072534
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
5-bromo-2-chloro-4-(3-methylpyrazol-1-yl)pyrimidine
CID 79073131
2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile
CID 171524604
3-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 86730264

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile (CID 162356477) is 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile is N#Cc1ccn(-c2nc(Cl)ncc2F)n1.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile?
The InChIKey is BRZPDSNBFMWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFN5/c9-8-12-4-6(10)7(13-8)15-2-1-5(3-11)14-15/h1-2,4H.
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile?
1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile has a molecular weight of 223.60 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 162356477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).