4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

C14H15F2N3O2 — CID 19290632

IUPAC4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C14H15F2N3O2/c1-2-19-9-10(8-18-19)7-17-13(20)11-3-5-12(6-4-11)21-14(15)16/h3-6,8-9,14H,2,7H2,1H3,(H,17,20)
InChIKeyWMECXSGWZCPNQH-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.43
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290632) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
PubChem CID19290632
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C14H15F2N3O2/c1-2-19-9-10(8-18-19)7-17-13(20)11-3-5-12(6-4-11)21-14(15)16/h3-6,8-9,14H,2,7H2,1H3,(H,17,20)
InChIKeyWMECXSGWZCPNQH-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 42464619
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315320
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 17023982
2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 75392529
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (CID 19290632) is 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is CCn1cc(CNC(=O)c2ccc(OC(F)F)cc2)cn1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is WMECXSGWZCPNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-2-19-9-10(8-18-19)7-17-13(20)11-3-5-12(6-4-11)21-14(15)16/h3-6,8-9,14H,2,7H2,1H3,(H,17,20).
What are the key properties of 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 295.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).