4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide

C12H13FN4O — CID 63102705

IUPAC4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1[nH]ncc1N)c1cccc(F)c1
InChIInChI=1S/C12H13FN4O/c1-2-17(9-5-3-4-8(13)6-9)12(18)11-10(14)7-15-16-11/h3-7H,2,14H2,1H3,(H,15,16)
InChIKeyDQGDPVYZMFPDLP-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.80
Rot. Bonds3

About 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide

4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63102705) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID63102705
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1[nH]ncc1N)c1cccc(F)c1
InChIInChI=1S/C12H13FN4O/c1-2-17(9-5-3-4-8(13)6-9)12(18)11-10(14)7-15-16-11/h3-7H,2,14H2,1H3,(H,15,16)
InChIKeyDQGDPVYZMFPDLP-UHFFFAOYSA-N
XLogP1.80
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-fluorophenyl)-1H-indazole-6-carboxamide
CID 62905806
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
4-amino-N,1-diethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide
CID 65359004
2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115865
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104327
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204665
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 63102705) is 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide is CCN(C(=O)c1[nH]ncc1N)c1cccc(F)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DQGDPVYZMFPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-2-17(9-5-3-4-8(13)6-9)12(18)11-10(14)7-15-16-11/h3-7H,2,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).