N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C18H19F2N5O — CID 19337554

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)F)cc2C)nn1Cc1ccccc1
InChIInChI=1S/C18H19F2N5O/c1-12-8-15(18(19)20)22-25(12)11-17(26)21-16-9-13(2)24(23-16)10-14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3,(H,21,23,26)
InChIKeyULQUHLOYBAFPRU-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.32
Rot. Bonds6

About N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 19337554) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID19337554
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)F)cc2C)nn1Cc1ccccc1
InChIInChI=1S/C18H19F2N5O/c1-12-8-15(18(19)20)22-25(12)11-17(26)21-16-9-13(2)24(23-16)10-14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3,(H,21,23,26)
InChIKeyULQUHLOYBAFPRU-UHFFFAOYSA-N
XLogP3.32
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499402
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19523573
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19519463
1-[2-[(1-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502770
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519461
N-(1-benzyl-5-methylpyrazol-3-yl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19337549
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19339215
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 1225415
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
N-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-phenoxyacetamide
CID 6459561
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 19337554) is N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2nc(C(F)F)cc2C)nn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is ULQUHLOYBAFPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-12-8-15(18(19)20)22-25(12)11-17(26)21-16-9-13(2)24(23-16)10-14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3,(H,21,23,26).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19337554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).