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

C19H16ClFN4O — CID 42874339

IUPAC1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C19H16ClFN4O/c20-13-4-2-6-15(10-13)22-19(26)23-18-16(11-7-8-11)24-25-17(18)12-3-1-5-14(21)9-12/h1-6,9-11H,7-8H2,(H,24,25)(H2,22,23,26)
InChIKeyGQBQWAGBXMWAOD-UHFFFAOYSA-N
MW370.82 g/mol
LogP5.39
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea (PubChem CID 42874339) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
PubChem CID42874339
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C19H16ClFN4O/c20-13-4-2-6-15(10-13)22-19(26)23-18-16(11-7-8-11)24-25-17(18)12-3-1-5-14(21)9-12/h1-6,9-11H,7-8H2,(H,24,25)(H2,22,23,26)
InChIKeyGQBQWAGBXMWAOD-UHFFFAOYSA-N
XLogP5.39
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.82
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
CID 42874338
N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42685595
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42687451
1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874332
(2S)-N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005130
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 42686286
1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874335
1-[3-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687367
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea (CID 42874339) is 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The InChIKey is GQBQWAGBXMWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-13-4-2-6-15(10-13)22-19(26)23-18-16(11-7-8-11)24-25-17(18)12-3-1-5-14(21)9-12/h1-6,9-11H,7-8H2,(H,24,25)(H2,22,23,26).
What are the key properties of 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea has a molecular weight of 370.82 g/mol, XLogP of 5.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 42874339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).