N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C14H16FN3O — CID 39977902

IUPACN,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-18(4-2)14(19)12-9-16-17-13(12)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyBLQNKKDADHAHSQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.70
Rot. Bonds4

About N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 39977902) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID39977902
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-18(4-2)14(19)12-9-16-17-13(12)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17)
InChIKeyBLQNKKDADHAHSQ-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-1H-pyrazole-4-carbaldehyde
CID 291816
3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
CID 605439
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
(4-fluorophenyl)(4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazino)methanone
CID 2812424
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 3221281
N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-4-fluorobenzohydrazide
CID 5412158
4-Fluoro-N-[1-(3-phenyl-1H-pyrazol-4-yl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide
CID 135517068
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorobenzamide
CID 708832
(E)-N-(2-oxo-2-(2-((3-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)ethyl)benzamide
CID 135425046
2-fluoro-N-methyl-5-[(5-oxo-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 124221394
2-fluoro-5-[(5-oxo-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 124221409
N-[1-[2-fluoro-5-[(5-oxo-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124221428

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 39977902) is N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is CCN(CC)C(=O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BLQNKKDADHAHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-18(4-2)14(19)12-9-16-17-13(12)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 39977902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).