3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide

C15H18FN3O2 — CID 110279600

IUPAC3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NCC(C)c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C15H18FN3O2/c1-3-21-14-8-13(18-19-14)15(20)17-9-10(2)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyRTUGHTXYWBKKHD-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.48
Rot. Bonds6

About 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide

3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 110279600) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID110279600
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NCC(C)c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C15H18FN3O2/c1-3-21-14-8-13(18-19-14)15(20)17-9-10(2)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyRTUGHTXYWBKKHD-UHFFFAOYSA-N
XLogP2.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 125142342
1-[(2,4-difluorophenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]pyrazole-3-carboxamide
CID 110279504
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87041831
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 95741259

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide (CID 110279600) is 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide is CCOc1cc(C(=O)NCC(C)c2ccc(F)cc2)[nH]n1.
What is the InChIKey of 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RTUGHTXYWBKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-21-14-8-13(18-19-14)15(20)17-9-10(2)11-4-6-12(16)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide?
3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110279600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).