N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide

C17H16FN3OS — CID 42686311

IUPACN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccs1
InChIInChI=1S/C17H16FN3OS/c1-2-5-13-16(19-17(22)14-8-4-9-23-14)15(21-20-13)11-6-3-7-12(18)10-11/h3-4,6-10H,2,5H2,1H3,(H,19,22)(H,20,21)
InChIKeyMDMBCXCNJRTVSE-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.48
Rot. Bonds5

About N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide

N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 42686311) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID42686311
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccs1
InChIInChI=1S/C17H16FN3OS/c1-2-5-13-16(19-17(22)14-8-4-9-23-14)15(21-20-13)11-6-3-7-12(18)10-11/h3-4,6-10H,2,5H2,1H3,(H,19,22)(H,20,21)
InChIKeyMDMBCXCNJRTVSE-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide (CID 42686311) is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccs1.
What is the InChIKey of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is MDMBCXCNJRTVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-2-5-13-16(19-17(22)14-8-4-9-23-14)15(21-20-13)11-6-3-7-12(18)10-11/h3-4,6-10H,2,5H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42686311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).