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

C17H14FN3OS — CID 42686282

IUPACN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1cccs1
InChIInChI=1S/C17H14FN3OS/c18-12-4-1-3-11(9-12)15-16(14(20-21-15)10-6-7-10)19-17(22)13-5-2-8-23-13/h1-5,8-10H,6-7H2,(H,19,22)(H,20,21)
InChIKeySCXKYYMENQYBAJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.41
Rot. Bonds4

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

N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 42686282) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID42686282
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1cccs1
InChIInChI=1S/C17H14FN3OS/c18-12-4-1-3-11(9-12)15-16(14(20-21-15)10-6-7-10)19-17(22)13-5-2-8-23-13/h1-5,8-10H,6-7H2,(H,19,22)(H,20,21)
InChIKeySCXKYYMENQYBAJ-UHFFFAOYSA-N
XLogP4.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide (CID 42686282) is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1cccs1.
What is the InChIKey of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is SCXKYYMENQYBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-12-4-1-3-11(9-12)15-16(14(20-21-15)10-6-7-10)19-17(22)13-5-2-8-23-13/h1-5,8-10H,6-7H2,(H,19,22)(H,20,21).
What are the key properties of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide?
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42686282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).