1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea

C12H12F2N4O — CID 104620541

IUPAC1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
SMILESCc1[nH]nc(NC(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C12H12F2N4O/c1-6-7(2)17-18-11(6)16-12(19)15-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H3,15,16,17,18,19)
InChIKeyGKKRWGYHRPWLNK-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.95
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea

1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea (PubChem CID 104620541) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
PubChem CID104620541
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
SMILESCc1[nH]nc(NC(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C12H12F2N4O/c1-6-7(2)17-18-11(6)16-12(19)15-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H3,15,16,17,18,19)
InChIKeyGKKRWGYHRPWLNK-UHFFFAOYSA-N
XLogP2.95
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 113433831
1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
CID 83101976
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea (CID 104620541) is 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea is Cc1[nH]nc(NC(=O)Nc2ccc(F)cc2F)c1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea?
The InChIKey is GKKRWGYHRPWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-6-7(2)17-18-11(6)16-12(19)15-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea?
1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea has a molecular weight of 266.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 104620541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).