2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

C14H19F2N5O — CID 146086741

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCc1nn(C)c(NC(=O)Cc2c(C)nn(C(F)F)c2C)c1C
InChIInChI=1S/C14H19F2N5O/c1-7-8(2)18-20(5)13(7)17-12(22)6-11-9(3)19-21(10(11)4)14(15)16/h14H,6H2,1-5H3,(H,17,22)
InChIKeyPLZQEQHRKMXNGP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.43
Rot. Bonds4

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (PubChem CID 146086741) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
PubChem CID146086741
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCc1nn(C)c(NC(=O)Cc2c(C)nn(C(F)F)c2C)c1C
InChIInChI=1S/C14H19F2N5O/c1-7-8(2)18-20(5)13(7)17-12(22)6-11-9(3)19-21(10(11)4)14(15)16/h14H,6H2,1-5H3,(H,17,22)
InChIKeyPLZQEQHRKMXNGP-UHFFFAOYSA-N
XLogP2.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(thiadiazol-5-yl)acetamide
CID 99833208
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119608489
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878
N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48691276
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119575428
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
CID 71883563
2-cyclopropyl-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119213672
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057
N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 127292748
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-2-ylmethyl)acetamide;hydrochloride
CID 86813758
2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 75507798
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
CID 49066002

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (CID 146086741) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is Cc1nn(C)c(NC(=O)Cc2c(C)nn(C(F)F)c2C)c1C.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The InChIKey is PLZQEQHRKMXNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-7-8(2)18-20(5)13(7)17-12(22)6-11-9(3)19-21(10(11)4)14(15)16/h14H,6H2,1-5H3,(H,17,22).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 146086741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).