1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea

C20H18ClFN4O — CID 70789119

IUPAC1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1cc(CC2CC2)nn1-c1ccccc1
InChIInChI=1S/C20H18ClFN4O/c21-17-11-14(8-9-18(17)22)23-20(27)24-19-12-15(10-13-6-7-13)25-26(19)16-4-2-1-3-5-16/h1-5,8-9,11-13H,6-7,10H2,(H2,23,24,27)
InChIKeyBSHNBXWFTGFFHC-UHFFFAOYSA-N
MW384.84 g/mol
LogP5.26
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea

1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea (PubChem CID 70789119) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea
PubChem CID70789119
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1cc(CC2CC2)nn1-c1ccccc1
InChIInChI=1S/C20H18ClFN4O/c21-17-11-14(8-9-18(17)22)23-20(27)24-19-12-15(10-13-6-7-13)25-26(19)16-4-2-1-3-5-16/h1-5,8-9,11-13H,6-7,10H2,(H2,23,24,27)
InChIKeyBSHNBXWFTGFFHC-UHFFFAOYSA-N
XLogP5.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.84
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
N-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]-5-oxaspiro[2.4]heptane-2-carboxamide
CID 127875180
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 73254444
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]acetamide
CID 1052587
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3,5-dichlorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
CID 70789138
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
N-(3-chloro-4-fluorophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 32507718
(2S)-N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274422

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea (CID 70789119) is 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1cc(CC2CC2)nn1-c1ccccc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is BSHNBXWFTGFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-17-11-14(8-9-18(17)22)23-20(27)24-19-12-15(10-13-6-7-13)25-26(19)16-4-2-1-3-5-16/h1-5,8-9,11-13H,6-7,10H2,(H2,23,24,27).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea?
1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 384.84 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[3-(cyclopropylmethyl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 70789119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).