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

C19H17FN4O — CID 42874338

IUPAC1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C19H17FN4O/c20-14-6-4-5-13(11-14)17-18(16(23-24-17)12-9-10-12)22-19(25)21-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,23,24)(H2,21,22,25)
InChIKeyQOOYNVDZOZRFRC-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.74
Rot. Bonds4

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

1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea (PubChem CID 42874338) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
PubChem CID42874338
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C19H17FN4O/c20-14-6-4-5-13(11-14)17-18(16(23-24-17)12-9-10-12)22-19(25)21-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,23,24)(H2,21,22,25)
InChIKeyQOOYNVDZOZRFRC-UHFFFAOYSA-N
XLogP4.74
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874339
(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-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42687451
N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42685595
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 138989784
1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874332
1-[3-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687367
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide
CID 42687630
1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874335
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
1-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
CID 42687385

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea?
The IUPAC name of 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea (CID 42874338) is 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea?
The canonical SMILES for 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1.
What is the InChIKey of 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea?
The InChIKey is QOOYNVDZOZRFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-14-6-4-5-13(11-14)17-18(16(23-24-17)12-9-10-12)22-19(25)21-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea?
1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea has a molecular weight of 336.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea is sourced from PubChem (CID 42874338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).