5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine

C8H7ClN4 — CID 141340430

IUPAC5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine
SMILESCc1[nH]ncc1-c1ncc(Cl)cn1
InChIInChI=1S/C8H7ClN4/c1-5-7(4-12-13-5)8-10-2-6(9)3-11-8/h2-4H,1H3,(H,12,13)
InChIKeyWEQVSTPXLBKDPK-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.83
Rot. Bonds1

About 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine

5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine (PubChem CID 141340430) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine
PubChem CID141340430
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine
SMILESCc1[nH]ncc1-c1ncc(Cl)cn1
InChIInChI=1S/C8H7ClN4/c1-5-7(4-12-13-5)8-10-2-6(9)3-11-8/h2-4H,1H3,(H,12,13)
InChIKeyWEQVSTPXLBKDPK-UHFFFAOYSA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine?
The IUPAC name of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine (CID 141340430) is 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine is Cc1[nH]ncc1-c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine?
The InChIKey is WEQVSTPXLBKDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-5-7(4-12-13-5)8-10-2-6(9)3-11-8/h2-4H,1H3,(H,12,13).
What are the key properties of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine?
5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine has a molecular weight of 194.63 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)pyrimidine is sourced from PubChem (CID 141340430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).