2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

C21H16ClF4N5O — CID 19526166

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)c(Cl)c1C(F)F)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C21H16ClF4N5O/c22-17-18(20(23)24)29-31(19(17)21(25)26)11-16(32)27-15-8-9-30(28-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9,20-21H,10-11H2,(H,27,28,32)
InChIKeyWOESTQRHMPVBQS-UHFFFAOYSA-N
MW465.84 g/mol
LogP5.45
Rot. Bonds7

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 19526166) has the molecular formula C21H16ClF4N5O and a molecular weight of 465.84 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID19526166
Molecular FormulaC21H16ClF4N5O
Molecular Weight465.84 g/mol
Exact Mass465.10
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)c(Cl)c1C(F)F)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C21H16ClF4N5O/c22-17-18(20(23)24)29-31(19(17)21(25)26)11-16(32)27-15-8-9-30(28-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9,20-21H,10-11H2,(H,27,28,32)
InChIKeyWOESTQRHMPVBQS-UHFFFAOYSA-N
XLogP5.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19520081
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19517389
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19526870
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520105
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481638
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]butanamide
CID 19549561
3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19552110
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520101
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (CID 19526166) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is O=C(Cn1nc(C(F)F)c(Cl)c1C(F)F)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is WOESTQRHMPVBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4N5O/c22-17-18(20(23)24)29-31(19(17)21(25)26)11-16(32)27-15-8-9-30(28-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9,20-21H,10-11H2,(H,27,28,32).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 465.84 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 19526166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).