5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine

C14H12N4O — CID 155917002

IUPAC5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(-c3cn[nH]c3)cc2)nc1
InChIInChI=1S/C14H12N4O/c1-19-13-8-15-14(16-9-13)11-4-2-10(3-5-11)12-6-17-18-7-12/h2-9H,1H3,(H,17,18)
InChIKeyFDRSLISXXOQRNP-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.54
Rot. Bonds3

About 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine

5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine (PubChem CID 155917002) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine
PubChem CID155917002
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(-c3cn[nH]c3)cc2)nc1
InChIInChI=1S/C14H12N4O/c1-19-13-8-15-14(16-9-13)11-4-2-10(3-5-11)12-6-17-18-7-12/h2-9H,1H3,(H,17,18)
InChIKeyFDRSLISXXOQRNP-UHFFFAOYSA-N
XLogP2.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 156821520
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4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-(4-fluorophenyl)-1H-pyrazole
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2-(3,4-dichlorophenyl)-5-methoxypyrimidine
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2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
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methanamine;4-phenyl-1H-pyrazole
CID 174608925
5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
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5-methoxy-3-(1H-pyrazol-4-yl)-1H-indazole
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4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
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7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one
CID 175827513
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
CID 157011839

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine?
The IUPAC name of 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine (CID 155917002) is 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine.
What is the SMILES notation for 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine?
The canonical SMILES for 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine is COc1cnc(-c2ccc(-c3cn[nH]c3)cc2)nc1.
What is the InChIKey of 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine?
The InChIKey is FDRSLISXXOQRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-19-13-8-15-14(16-9-13)11-4-2-10(3-5-11)12-6-17-18-7-12/h2-9H,1H3,(H,17,18).
What are the key properties of 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine?
5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine has a molecular weight of 252.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine is sourced from PubChem (CID 155917002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).