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

C23H28N4O — CID 118430398

IUPAC2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCCC(CC)Oc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-20(5-2)28-22-21(13-17-9-7-6-8-10-17)16(3)27(26-22)23-24-14-19(15-25-23)18-11-12-18/h6-10,14-15,18,20H,4-5,11-13H2,1-3H3
InChIKeyWLFJOWROPCRLCZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.01
Rot. Bonds8

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

2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine (PubChem CID 118430398) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
PubChem CID118430398
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCCC(CC)Oc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-20(5-2)28-22-21(13-17-9-7-6-8-10-17)16(3)27(26-22)23-24-14-19(15-25-23)18-11-12-18/h6-10,14-15,18,20H,4-5,11-13H2,1-3H3
InChIKeyWLFJOWROPCRLCZ-UHFFFAOYSA-N
XLogP5.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
Dhodh-IN-1
CID 118430456
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-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The IUPAC name of 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine (CID 118430398) is 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine.
What is the SMILES notation for 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The canonical SMILES for 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine is CCC(CC)Oc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The InChIKey is WLFJOWROPCRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-20(5-2)28-22-21(13-17-9-7-6-8-10-17)16(3)27(26-22)23-24-14-19(15-25-23)18-11-12-18/h6-10,14-15,18,20H,4-5,11-13H2,1-3H3.
What are the key properties of 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine has a molecular weight of 376.50 g/mol, XLogP of 5.01, 8 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-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine is sourced from PubChem (CID 118430398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).