N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H16FN3O2S — CID 78881475

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3cccs3)[nH]n2)cc1F
InChIInChI=1S/C17H16FN3O2S/c1-10(11-5-6-15(23-2)12(18)8-11)19-17(22)14-9-13(20-21-14)16-4-3-7-24-16/h3-10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyJDGYQLCUVSMJPN-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.78
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 78881475) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID78881475
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(-c3cccs3)[nH]n2)cc1F
InChIInChI=1S/C17H16FN3O2S/c1-10(11-5-6-15(23-2)12(18)8-11)19-17(22)14-9-13(20-21-14)16-4-3-7-24-16/h3-10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyJDGYQLCUVSMJPN-UHFFFAOYSA-N
XLogP3.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18205156
2-(3,4-dimethoxyphenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 24502013
N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 155963735
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 124620638
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508898
5-thiophen-2-yl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1185019
5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 78154443

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 78881475) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is COc1ccc(C(C)NC(=O)c2cc(-c3cccs3)[nH]n2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JDGYQLCUVSMJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10(11-5-6-15(23-2)12(18)8-11)19-17(22)14-9-13(20-21-14)16-4-3-7-24-16/h3-10H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78881475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).