2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C13H15F4N5O — CID 19532217

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnn1C)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C13H15F4N5O/c1-7(13(23)18-6-8-3-4-19-21(8)2)22-10(12(16)17)5-9(20-22)11(14)15/h3-5,7,11-12H,6H2,1-2H3,(H,18,23)
InChIKeyCDPHYMDYPVAMKX-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.37
Rot. Bonds6

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 19532217) has the molecular formula C13H15F4N5O and a molecular weight of 333.29 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID19532217
Molecular FormulaC13H15F4N5O
Molecular Weight333.29 g/mol
Exact Mass333.12
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnn1C)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C13H15F4N5O/c1-7(13(23)18-6-8-3-4-19-21(8)2)22-10(12(16)17)5-9(20-22)11(14)15/h3-5,7,11-12H,6H2,1-2H3,(H,18,23)
InChIKeyCDPHYMDYPVAMKX-UHFFFAOYSA-N
XLogP2.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
CID 7018497
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19532389
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 76989094
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535324
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 19532217) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide is CC(C(=O)NCc1ccnn1C)n1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is CDPHYMDYPVAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N5O/c1-7(13(23)18-6-8-3-4-19-21(8)2)22-10(12(16)17)5-9(20-22)11(14)15/h3-5,7,11-12H,6H2,1-2H3,(H,18,23).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 333.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19532217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).