2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine

C13H9ClN4 — CID 56956121

IUPAC2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine
SMILESClc1ccccc1-n1nccc1-c1ncccn1
InChIInChI=1S/C13H9ClN4/c14-10-4-1-2-5-11(10)18-12(6-9-17-18)13-15-7-3-8-16-13/h1-9H
InChIKeyNKXLDKGKWXQFND-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine

2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine (PubChem CID 56956121) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine
PubChem CID56956121
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine
SMILESClc1ccccc1-n1nccc1-c1ncccn1
InChIInChI=1S/C13H9ClN4/c14-10-4-1-2-5-11(10)18-12(6-9-17-18)13-15-7-3-8-16-13/h1-9H
InChIKeyNKXLDKGKWXQFND-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethylphenyl)pyrazol-3-yl]pyrimidine
CID 166323999
5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole
CID 141164289
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide
CID 135475942
5-[(E)-but-2-en-2-yl]-1-(2-chlorophenyl)-1,2,4-triazole
CID 88968227
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole
CID 101073721
2-(2-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672776
3-chloro-1-(2-chlorophenyl)-5-methylpyrazole
CID 59022592
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide
CID 67100868
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyridine
CID 56956135
1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile
CID 56956020
1-[4-bromo-2-[2-(2-chlorophenyl)pyrazol-3-yl]phenyl]-2-methyl-4-(trifluoromethyl)imidazole
CID 90424064
2-(2-tert-butylpyrazol-3-yl)pyrimidine
CID 56956113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine?
The IUPAC name of 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine (CID 56956121) is 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine is Clc1ccccc1-n1nccc1-c1ncccn1.
What is the InChIKey of 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine?
The InChIKey is NKXLDKGKWXQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-10-4-1-2-5-11(10)18-12(6-9-17-18)13-15-7-3-8-16-13/h1-9H.
What are the key properties of 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine?
2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 56956121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).