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

C19H19FN4O3 — CID 40715877

IUPAC1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C19H19FN4O3/c1-26-15-7-8-18(27-2)17(9-15)23-19(25)22-14-10-21-24(12-14)11-13-5-3-4-6-16(13)20/h3-10,12H,11H2,1-2H3,(H2,22,23,25)
InChIKeyLXAOCNPXCKEQFT-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.73
Rot. Bonds6

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

1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea (PubChem CID 40715877) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
PubChem CID40715877
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C19H19FN4O3/c1-26-15-7-8-18(27-2)17(9-15)23-19(25)22-14-10-21-24(12-14)11-13-5-3-4-6-16(13)20/h3-10,12H,11H2,1-2H3,(H2,22,23,25)
InChIKeyLXAOCNPXCKEQFT-UHFFFAOYSA-N
XLogP3.73
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(2,5-dimethoxyphenyl)urea
CID 35277983
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19447912
1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)urea
CID 39853470
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxyphenyl)thiourea
CID 19679341
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
methyl 2-[[4-[(5-chloro-2-methoxybenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402411

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea (CID 40715877) is 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea is COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3ccccc3F)c2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is LXAOCNPXCKEQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-26-15-7-8-18(27-2)17(9-15)23-19(25)22-14-10-21-24(12-14)11-13-5-3-4-6-16(13)20/h3-10,12H,11H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 370.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 40715877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).