1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea

C19H19ClN4O2 — CID 35281421

IUPAC1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-18(20)13(2)24(23-12)16-8-4-14(5-9-16)21-19(25)22-15-6-10-17(26-3)11-7-15/h4-11H,1-3H3,(H2,21,22,25)
InChIKeyXRIKKCPQPAZORI-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.80
Rot. Bonds4

About 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 35281421) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
PubChem CID35281421
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-18(20)13(2)24(23-12)16-8-4-14(5-9-16)21-19(25)22-15-6-10-17(26-3)11-7-15/h4-11H,1-3H3,(H2,21,22,25)
InChIKeyXRIKKCPQPAZORI-UHFFFAOYSA-N
XLogP4.80
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 35281376
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 35281504
4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 35532568
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-cyanophenyl)methoxy]benzamide
CID 156902361
1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
CID 11153624

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea (CID 35281421) is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1.
What is the InChIKey of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is XRIKKCPQPAZORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-18(20)13(2)24(23-12)16-8-4-14(5-9-16)21-19(25)22-15-6-10-17(26-3)11-7-15/h4-11H,1-3H3,(H2,21,22,25).
What are the key properties of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea?
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 370.84 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 35281421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).