4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide

C12H11F2N5O2 — CID 2956339

IUPAC4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Nc2ccc(F)cc2F)c1C(N)=O
InChIInChI=1S/C12H11F2N5O2/c1-19-10(11(15)20)9(5-16-19)18-12(21)17-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H2,15,20)(H2,17,18,21)
InChIKeyYEJJHHCTWIWSDD-UHFFFAOYSA-N
MW295.25 g/mol
LogP1.44
Rot. Bonds3

About 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide

4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 2956339) has the molecular formula C12H11F2N5O2 and a molecular weight of 295.25 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID2956339
Molecular FormulaC12H11F2N5O2
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC Name4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Nc2ccc(F)cc2F)c1C(N)=O
InChIInChI=1S/C12H11F2N5O2/c1-19-10(11(15)20)9(5-16-19)18-12(21)17-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H2,15,20)(H2,17,18,21)
InChIKeyYEJJHHCTWIWSDD-UHFFFAOYSA-N
XLogP1.44
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide (CID 2956339) is 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)Nc2ccc(F)cc2F)c1C(N)=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is YEJJHHCTWIWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O2/c1-19-10(11(15)20)9(5-16-19)18-12(21)17-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H2,15,20)(H2,17,18,21).
What are the key properties of 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide?
4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 295.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 2956339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).