5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide

C10H8F2N4O — CID 43159531

IUPAC5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N4O/c11-7-2-1-5(3-8(7)12)15-10(17)6-4-14-16-9(6)13/h1-4H,(H,15,17)(H3,13,14,16)
InChIKeyDGJZAMJVZYFPCL-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.52
Rot. Bonds2

About 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide

5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43159531) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID43159531
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N4O/c11-7-2-1-5(3-8(7)12)15-10(17)6-4-14-16-9(6)13/h1-4H,(H,15,17)(H3,13,14,16)
InChIKeyDGJZAMJVZYFPCL-UHFFFAOYSA-N
XLogP1.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide (CID 43159531) is 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DGJZAMJVZYFPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-7-2-1-5(3-8(7)12)15-10(17)6-4-14-16-9(6)13/h1-4H,(H,15,17)(H3,13,14,16).
What are the key properties of 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 238.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).