1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea

C18H16Cl2N4O — CID 17380831

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-12-2-6-15(7-3-12)21-18(25)22-17-8-9-24(23-17)11-13-4-5-14(19)10-16(13)20/h2-10H,11H2,1H3,(H2,21,22,23,25)
InChIKeyPHBZPKKNTDSVFN-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.19
Rot. Bonds4

About 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea

1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea (PubChem CID 17380831) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea
PubChem CID17380831
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-12-2-6-15(7-3-12)21-18(25)22-17-8-9-24(23-17)11-13-4-5-14(19)10-16(13)20/h2-10H,11H2,1H3,(H2,21,22,23,25)
InChIKeyPHBZPKKNTDSVFN-UHFFFAOYSA-N
XLogP5.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252
1-(3-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 19405696
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19345385
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 35537616
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19345356
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19345388
2-[3-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500207
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397360
4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19345307
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498642
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19347058

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea (CID 17380831) is 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea?
The InChIKey is PHBZPKKNTDSVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-12-2-6-15(7-3-12)21-18(25)22-17-8-9-24(23-17)11-13-4-5-14(19)10-16(13)20/h2-10H,11H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea?
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea has a molecular weight of 375.26 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 17380831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).