2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine

C8H7ClN4 — CID 62343477

IUPAC2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C8H7ClN4/c1-6-4-11-13(5-6)7-2-3-10-8(9)12-7/h2-5H,1H3
InChIKeyNWEJHMRVUYJCBT-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.62
Rot. Bonds1

About 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine

2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 62343477) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID62343477
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C8H7ClN4/c1-6-4-11-13(5-6)7-2-3-10-8(9)12-7/h2-5H,1H3
InChIKeyNWEJHMRVUYJCBT-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine (CID 62343477) is 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine is Cc1cnn(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is NWEJHMRVUYJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-6-4-11-13(5-6)7-2-3-10-8(9)12-7/h2-5H,1H3.
What are the key properties of 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine?
2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 194.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 62343477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).