2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine

C21H24N4O — CID 118430438

IUPAC2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCc1c(Cc2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1
InChIInChI=1S/C21H24N4O/c1-14(2)26-20-19(11-16-7-5-4-6-8-16)15(3)25(24-20)21-22-12-18(13-23-21)17-9-10-17/h4-8,12-14,17H,9-11H2,1-3H3
InChIKeyRYCDSPNNYWGKMH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.23
Rot. Bonds6

About 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine

2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine (PubChem CID 118430438) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
PubChem CID118430438
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCc1c(Cc2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1
InChIInChI=1S/C21H24N4O/c1-14(2)26-20-19(11-16-7-5-4-6-8-16)15(3)25(24-20)21-22-12-18(13-23-21)17-9-10-17/h4-8,12-14,17H,9-11H2,1-3H3
InChIKeyRYCDSPNNYWGKMH-UHFFFAOYSA-N
XLogP4.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dhodh-IN-1
CID 118430456
5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
hDHODH-IN-4
CID 118430507
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
5-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182205
6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl 4-methylphenyl ether
CID 850309
4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
CID 166631388
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
1-(4-(4-(((1S,2S)-2-(5-ethylpyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)-1-methyl-1H-pyrazol-3-yl)ethanol
CID 90177827

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The IUPAC name of 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine (CID 118430438) is 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine.
What is the SMILES notation for 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The canonical SMILES for 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine is Cc1c(Cc2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1.
What is the InChIKey of 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The InChIKey is RYCDSPNNYWGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14(2)26-20-19(11-16-7-5-4-6-8-16)15(3)25(24-20)21-22-12-18(13-23-21)17-9-10-17/h4-8,12-14,17H,9-11H2,1-3H3.
What are the key properties of 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine has a molecular weight of 348.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine is sourced from PubChem (CID 118430438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).