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

C18H18FN3OS — CID 87042708

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccs1
InChIInChI=1S/C18H18FN3OS/c1-22(18(23)17-8-4-10-24-17)9-3-7-15-12-16(21-20-15)13-5-2-6-14(19)11-13/h2,4-6,8,10-12H,3,7,9H2,1H3,(H,20,21)
InChIKeyIEEQBFIHMOXNTP-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.98
Rot. Bonds6

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

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide (PubChem CID 87042708) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
PubChem CID87042708
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccs1
InChIInChI=1S/C18H18FN3OS/c1-22(18(23)17-8-4-10-24-17)9-3-7-15-12-16(21-20-15)13-5-2-6-14(19)11-13/h2,4-6,8,10-12H,3,7,9H2,1H3,(H,20,21)
InChIKeyIEEQBFIHMOXNTP-UHFFFAOYSA-N
XLogP3.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide (CID 87042708) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccs1.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IEEQBFIHMOXNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-22(18(23)17-8-4-10-24-17)9-3-7-15-12-16(21-20-15)13-5-2-6-14(19)11-13/h2,4-6,8,10-12H,3,7,9H2,1H3,(H,20,21).
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 87042708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).