N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide

C14H16F2N4O — CID 49092977

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
SMILESCN(C)CCn1cc(NC(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H16F2N4O/c1-19(2)5-6-20-9-11(8-17-20)18-14(21)10-3-4-12(15)13(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)
InChIKeyNGWXLELJXLKDLN-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.98
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide (PubChem CID 49092977) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
PubChem CID49092977
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
SMILESCN(C)CCn1cc(NC(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H16F2N4O/c1-19(2)5-6-20-9-11(8-17-20)18-14(21)10-3-4-12(15)13(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)
InChIKeyNGWXLELJXLKDLN-UHFFFAOYSA-N
XLogP1.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
CID 95744341
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167754395
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 60616207
3-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103706946
methyl 2-[4-[(3-chloro-4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 81422798
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide (CID 49092977) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide is CN(C)CCn1cc(NC(=O)c2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide?
The InChIKey is NGWXLELJXLKDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-19(2)5-6-20-9-11(8-17-20)18-14(21)10-3-4-12(15)13(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,18,21).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide has a molecular weight of 294.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 49092977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).