4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine

C14H12N4O — CID 661295

IUPAC4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine
SMILESCc1cnn(-c2cc(Oc3ccccc3)ncn2)c1
InChIInChI=1S/C14H12N4O/c1-11-8-17-18(9-11)13-7-14(16-10-15-13)19-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyWXCSGGUISPEQAE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine

4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine (PubChem CID 661295) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine
PubChem CID661295
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine
SMILESCc1cnn(-c2cc(Oc3ccccc3)ncn2)c1
InChIInChI=1S/C14H12N4O/c1-11-8-17-18(9-11)13-7-14(16-10-15-13)19-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyWXCSGGUISPEQAE-UHFFFAOYSA-N
XLogP2.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine (CID 661295) is 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine is Cc1cnn(-c2cc(Oc3ccccc3)ncn2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine?
The InChIKey is WXCSGGUISPEQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-11-8-17-18(9-11)13-7-14(16-10-15-13)19-12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine?
4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine has a molecular weight of 252.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-6-phenoxypyrimidine is sourced from PubChem (CID 661295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).