2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine

C8H7ClN4 — CID 79079878

IUPAC2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine
SMILESCn1nccc1-c1ccnc(Cl)n1
InChIInChI=1S/C8H7ClN4/c1-13-7(3-5-11-13)6-2-4-10-8(9)12-6/h2-5H,1H3
InChIKeyNZMZFBFHNYJTPY-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.53
Rot. Bonds1

About 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine

2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine (PubChem CID 79079878) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine
PubChem CID79079878
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine
SMILESCn1nccc1-c1ccnc(Cl)n1
InChIInChI=1S/C8H7ClN4/c1-13-7(3-5-11-13)6-2-4-10-8(9)12-6/h2-5H,1H3
InChIKeyNZMZFBFHNYJTPY-UHFFFAOYSA-N
XLogP1.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine (CID 79079878) is 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine is Cn1nccc1-c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine?
The InChIKey is NZMZFBFHNYJTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-13-7(3-5-11-13)6-2-4-10-8(9)12-6/h2-5H,1H3.
What are the key properties of 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine?
2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine has a molecular weight of 194.62 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 79079878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).