1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea

C22H26N4O — CID 42874323

IUPAC1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C22H26N4O/c1-13(2)17-7-9-18(10-8-17)23-22(27)24-20-16(5)25-26-21(20)19-11-6-14(3)12-15(19)4/h6-13H,1-5H3,(H,25,26)(H2,23,24,27)
InChIKeyDULPMJLZEFVWLL-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.77
Rot. Bonds4

About 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea

1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 42874323) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
PubChem CID42874323
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C22H26N4O/c1-13(2)17-7-9-18(10-8-17)23-22(27)24-20-16(5)25-26-21(20)19-11-6-14(3)12-15(19)4/h6-13H,1-5H3,(H,25,26)(H2,23,24,27)
InChIKeyDULPMJLZEFVWLL-UHFFFAOYSA-N
XLogP5.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874354
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686116
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686125
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686121
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795
1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
CID 42687523
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea (CID 42874323) is 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea is Cc1ccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is DULPMJLZEFVWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-13(2)17-7-9-18(10-8-17)23-22(27)24-20-16(5)25-26-21(20)19-11-6-14(3)12-15(19)4/h6-13H,1-5H3,(H,25,26)(H2,23,24,27).
What are the key properties of 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 362.48 g/mol, XLogP of 5.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 42874323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).