N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C13H16ClF2N5O — CID 19296789

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCCn1ncc(Cl)c1CNC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C13H16ClF2N5O/c1-3-20-11(9(14)5-18-20)6-17-12(22)7-21-8(2)4-10(19-21)13(15)16/h4-5,13H,3,6-7H2,1-2H3,(H,17,22)
InChIKeyLYDNBUKMWRCIKT-UHFFFAOYSA-N
MW331.75 g/mol
LogP2.32
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 19296789) has the molecular formula C13H16ClF2N5O and a molecular weight of 331.75 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID19296789
Molecular FormulaC13H16ClF2N5O
Molecular Weight331.75 g/mol
Exact Mass331.10
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCCn1ncc(Cl)c1CNC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C13H16ClF2N5O/c1-3-20-11(9(14)5-18-20)6-17-12(22)7-21-8(2)4-10(19-21)13(15)16/h4-5,13H,3,6-7H2,1-2H3,(H,17,22)
InChIKeyLYDNBUKMWRCIKT-UHFFFAOYSA-N
XLogP2.32
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 4765525
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770840
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53621017
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778912
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70736557
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
CID 6499045
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772550
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4866946

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 19296789) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is CCn1ncc(Cl)c1CNC(=O)Cn1nc(C(F)F)cc1C.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is LYDNBUKMWRCIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N5O/c1-3-20-11(9(14)5-18-20)6-17-12(22)7-21-8(2)4-10(19-21)13(15)16/h4-5,13H,3,6-7H2,1-2H3,(H,17,22).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 331.75 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19296789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).