1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine

C15H16N4 — CID 175782128

IUPAC1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine
SMILESCn1cc(-c2ccc(CN3C=CC=NC3)cc2)cn1
InChIInChI=1S/C15H16N4/c1-18-11-15(9-17-18)14-5-3-13(4-6-14)10-19-8-2-7-16-12-19/h2-9,11H,10,12H2,1H3
InChIKeyKXJUPTJZIJFNJN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.44
Rot. Bonds3

About 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine

1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine (PubChem CID 175782128) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine.

Molecular Properties

Compound Name1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine
PubChem CID175782128
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine
SMILESCn1cc(-c2ccc(CN3C=CC=NC3)cc2)cn1
InChIInChI=1S/C15H16N4/c1-18-11-15(9-17-18)14-5-3-13(4-6-14)10-19-8-2-7-16-12-19/h2-9,11H,10,12H2,1H3
InChIKeyKXJUPTJZIJFNJN-UHFFFAOYSA-N
XLogP2.44
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54567
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CID 137946
4-(1H-pyrazol-1-ylmethyl)benzonitrile
CID 8834695
1-Benzyl-1H-pyrazole
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1-(2-phenylethyl)-1H-pyrazole
CID 11126737
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
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1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
4-(1,5-Dimethyl-1H-pyrazol-4-yl)benzonitrile
CID 145961259
1-((4-(propan-2-yl)phenyl)methyl)-1H-pyrazol-5-amine
CID 4962346
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
2-[1-(2-Cyano-ethyl)-3-p-tolyl-1H-pyrazol-4-ylmethylene]-malononitrile
CID 3155210

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine?
The IUPAC name of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine (CID 175782128) is 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine.
What is the SMILES notation for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine?
The canonical SMILES for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine is Cn1cc(-c2ccc(CN3C=CC=NC3)cc2)cn1.
What is the InChIKey of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine?
The InChIKey is KXJUPTJZIJFNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-18-11-15(9-17-18)14-5-3-13(4-6-14)10-19-8-2-7-16-12-19/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine?
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine has a molecular weight of 252.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine is sourced from PubChem (CID 175782128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).