1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea

C21H20F2N4O — CID 42687385

IUPAC1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C21H20F2N4O/c1-11-3-7-15(12(2)9-11)19-20(18(26-27-19)13-4-5-13)25-21(28)24-17-8-6-14(22)10-16(17)23/h3,6-10,13H,4-5H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyHLDOOJRDHNHQEP-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.49
Rot. Bonds4

About 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea

1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 42687385) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
PubChem CID42687385
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C21H20F2N4O/c1-11-3-7-15(12(2)9-11)19-20(18(26-27-19)13-4-5-13)25-21(28)24-17-8-6-14(22)10-16(17)23/h3,6-10,13H,4-5H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyHLDOOJRDHNHQEP-UHFFFAOYSA-N
XLogP5.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 42687455
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42687451
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
4-amino-5-cyclopropyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62077288
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686125
1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
CID 104620541
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686121
1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874339
1-[3-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-(4-fluorophenyl)urea
CID 42874314

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea (CID 42687385) is 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea is Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is HLDOOJRDHNHQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-11-3-7-15(12(2)9-11)19-20(18(26-27-19)13-4-5-13)25-21(28)24-17-8-6-14(22)10-16(17)23/h3,6-10,13H,4-5H2,1-2H3,(H,26,27)(H2,24,25,28).
What are the key properties of 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea?
1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 382.41 g/mol, XLogP of 5.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 42687385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).