1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea

C18H16ClFN4O — CID 42874332

IUPAC1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN4O/c1-2-15-17(16(24-23-15)11-4-3-5-13(20)10-11)22-18(25)21-14-8-6-12(19)7-9-14/h3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyUHNFJNYAAHBHEY-UHFFFAOYSA-N
MW358.80 g/mol
LogP5.08
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea

1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea (PubChem CID 42874332) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
PubChem CID42874332
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN4O/c1-2-15-17(16(24-23-15)11-4-3-5-13(20)10-11)22-18(25)21-14-8-6-12(19)7-9-14/h3-10H,2H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyUHNFJNYAAHBHEY-UHFFFAOYSA-N
XLogP5.08
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.80
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874335
1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
CID 42687514
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479
1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874339
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
CID 42874338
1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
CID 42687470
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 744032
1-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42874376
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea (CID 42874332) is 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea is CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The InChIKey is UHNFJNYAAHBHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-2-15-17(16(24-23-15)11-4-3-5-13(20)10-11)22-18(25)21-14-8-6-12(19)7-9-14/h3-10H,2H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea has a molecular weight of 358.80 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 42874332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).