2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide

C12H15F2N5O — CID 5253595

IUPAC2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C12H15F2N5O/c1-3-18-9(4-6-15-18)8-17(2)11(20)10-5-7-16-19(10)12(13)14/h4-7,12H,3,8H2,1-2H3
InChIKeyPQXMTFSWUGEPQW-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.77
Rot. Bonds5

About 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide

2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 5253595) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID5253595
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C12H15F2N5O/c1-3-18-9(4-6-15-18)8-17(2)11(20)10-5-7-16-19(10)12(13)14/h4-7,12H,3,8H2,1-2H3
InChIKeyPQXMTFSWUGEPQW-UHFFFAOYSA-N
XLogP1.77
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 19575903
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide (CID 5253595) is 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide is CCn1nccc1CN(C)C(=O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is PQXMTFSWUGEPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-3-18-9(4-6-15-18)8-17(2)11(20)10-5-7-16-19(10)12(13)14/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 5253595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).