4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide

C19H21N3OS — CID 2225288

IUPAC4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide
SMILESCc1cnn(CCCNC(=O)c2cc(C)c(-c3ccccc3)s2)c1
InChIInChI=1S/C19H21N3OS/c1-14-12-21-22(13-14)10-6-9-20-19(23)17-11-15(2)18(24-17)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,23)
InChIKeyHIEGBODBRPOKRT-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.05
Rot. Bonds6

About 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide

4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide (PubChem CID 2225288) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide
PubChem CID2225288
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide
SMILESCc1cnn(CCCNC(=O)c2cc(C)c(-c3ccccc3)s2)c1
InChIInChI=1S/C19H21N3OS/c1-14-12-21-22(13-14)10-6-9-20-19(23)17-11-15(2)18(24-17)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,23)
InChIKeyHIEGBODBRPOKRT-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 91834868
4,5-dibromo-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113237995
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19328190
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19327946
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
N-[3-(4-methylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19327965
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86968195
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide (CID 2225288) is 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide is Cc1cnn(CCCNC(=O)c2cc(C)c(-c3ccccc3)s2)c1.
What is the InChIKey of 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is HIEGBODBRPOKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-12-21-22(13-14)10-6-9-20-19(23)17-11-15(2)18(24-17)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide?
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 2225288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).