1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

C10H8F5N5O — CID 19264142

IUPAC1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C10H8F5N5O/c1-4-6(7(18-17-4)10(13,14)15)16-8(21)5-2-3-20(19-5)9(11)12/h2-3,9H,1H3,(H,16,21)(H,17,18)
InChIKeyDEYBUBFBIQCCTK-UHFFFAOYSA-N
MW309.20 g/mol
LogP2.58
Rot. Bonds3

About 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19264142) has the molecular formula C10H8F5N5O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19264142
Molecular FormulaC10H8F5N5O
Molecular Weight309.20 g/mol
Exact Mass309.06
IUPAC Name1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C10H8F5N5O/c1-4-6(7(18-17-4)10(13,14)15)16-8(21)5-2-3-20(19-5)9(11)12/h2-3,9H,1H3,(H,16,21)(H,17,18)
InChIKeyDEYBUBFBIQCCTK-UHFFFAOYSA-N
XLogP2.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (CID 19264142) is 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is DEYBUBFBIQCCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N5O/c1-4-6(7(18-17-4)10(13,14)15)16-8(21)5-2-3-20(19-5)9(11)12/h2-3,9H,1H3,(H,16,21)(H,17,18).
What are the key properties of 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19264142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).