1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea

C21H21FN4O3 — CID 42687451

IUPAC1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-8-9-16(17(11-15)29-2)19-20(18(25-26-19)12-6-7-12)24-21(27)23-14-5-3-4-13(22)10-14/h3-5,8-12H,6-7H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyVGKZAQPKJZUNCB-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.75
Rot. Bonds6

About 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea

1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea (PubChem CID 42687451) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
PubChem CID42687451
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C21H21FN4O3/c1-28-15-8-9-16(17(11-15)29-2)19-20(18(25-26-19)12-6-7-12)24-21(27)23-14-5-3-4-13(22)10-14/h3-5,8-12H,6-7H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyVGKZAQPKJZUNCB-UHFFFAOYSA-N
XLogP4.75
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42874376
1-(4-chlorophenyl)-3-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]urea
CID 42687445
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 42687455
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874188
1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
CID 42874338
1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874339
1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea
CID 42687429
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-fluorobenzamide
CID 42685787
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea (CID 42687451) is 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea is COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2cccc(F)c2)c(OC)c1.
What is the InChIKey of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea?
The InChIKey is VGKZAQPKJZUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-15-8-9-16(17(11-15)29-2)19-20(18(25-26-19)12-6-7-12)24-21(27)23-14-5-3-4-13(22)10-14/h3-5,8-12H,6-7H2,1-2H3,(H,25,26)(H2,23,24,27).
What are the key properties of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea?
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea has a molecular weight of 396.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 42687451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).