2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine

C19H20N4O — CID 118430483

IUPAC2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCOc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-13-17(10-14-6-4-3-5-7-14)18(24-2)22-23(13)19-20-11-16(12-21-19)15-8-9-15/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyFPVMEHWQUBGBCH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine

2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine (PubChem CID 118430483) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine
PubChem CID118430483
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCOc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-13-17(10-14-6-4-3-5-7-14)18(24-2)22-23(13)19-20-11-16(12-21-19)15-8-9-15/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyFPVMEHWQUBGBCH-UHFFFAOYSA-N
XLogP3.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
hDHODH-IN-4
CID 118430507
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
5-(3-Fluoro-4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4418696
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
CID 118430537
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
CID 118430651
3-Methoxy-1-[2-pyrazolyl-6-(trifluoromethyl)pyrimidin-4-yl]benzene
CID 4093842
5-Fluoro-2-(2-isobutyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl methyl ether
CID 71701277
2-Cyclopropyl-7-(2-fluoro-4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 71701358
3-Fluoro-4-(2-isobutyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl methyl ether
CID 71703173

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine?
The IUPAC name of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine (CID 118430483) is 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine.
What is the SMILES notation for 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine?
The canonical SMILES for 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine is COc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine?
The InChIKey is FPVMEHWQUBGBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-17(10-14-6-4-3-5-7-14)18(24-2)22-23(13)19-20-11-16(12-21-19)15-8-9-15/h3-7,11-12,15H,8-10H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine?
2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine has a molecular weight of 320.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine is sourced from PubChem (CID 118430483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).