5-(1,4-dimethylpyrazol-5-yl)pyrimidine

C9H10N4 — CID 169090134

IUPAC5-(1,4-dimethylpyrazol-5-yl)pyrimidine
SMILESCc1cnn(C)c1-c1cncnc1
InChIInChI=1S/C9H10N4/c1-7-3-12-13(2)9(7)8-4-10-6-11-5-8/h3-6H,1-2H3
InChIKeyTWSVNABGAFVUOZ-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.19
Rot. Bonds1

About 5-(1,4-dimethylpyrazol-5-yl)pyrimidine

5-(1,4-dimethylpyrazol-5-yl)pyrimidine (PubChem CID 169090134) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-(1,4-dimethylpyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name5-(1,4-dimethylpyrazol-5-yl)pyrimidine
PubChem CID169090134
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-(1,4-dimethylpyrazol-5-yl)pyrimidine
SMILESCc1cnn(C)c1-c1cncnc1
InChIInChI=1S/C9H10N4/c1-7-3-12-13(2)9(7)8-4-10-6-11-5-8/h3-6H,1-2H3
InChIKeyTWSVNABGAFVUOZ-UHFFFAOYSA-N
XLogP1.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The IUPAC name of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine (CID 169090134) is 5-(1,4-dimethylpyrazol-5-yl)pyrimidine.
What is the SMILES notation for 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The canonical SMILES for 5-(1,4-dimethylpyrazol-5-yl)pyrimidine is Cc1cnn(C)c1-c1cncnc1.
What is the InChIKey of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
The InChIKey is TWSVNABGAFVUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-3-12-13(2)9(7)8-4-10-6-11-5-8/h3-6H,1-2H3.
What are the key properties of 5-(1,4-dimethylpyrazol-5-yl)pyrimidine?
5-(1,4-dimethylpyrazol-5-yl)pyrimidine has a molecular weight of 174.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dimethylpyrazol-5-yl)pyrimidine is sourced from PubChem (CID 169090134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).