N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C19H21N3OS — CID 2336057

IUPACN-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H21N3OS/c1-14(2)10-11-20-19(23)16-13-22(15-7-4-3-5-8-15)21-18(16)17-9-6-12-24-17/h3-9,12-14H,10-11H2,1-2H3,(H,20,23)
InChIKeyUXSLTNQVKHVKME-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.38
Rot. Bonds6

About N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2336057) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2336057
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H21N3OS/c1-14(2)10-11-20-19(23)16-13-22(15-7-4-3-5-8-15)21-18(16)17-9-6-12-24-17/h3-9,12-14H,10-11H2,1-2H3,(H,20,23)
InChIKeyUXSLTNQVKHVKME-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109
N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282155
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[2-(2-fluorophenoxy)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18228769
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 112758981

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2336057) is N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CC(C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is UXSLTNQVKHVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14(2)10-11-20-19(23)16-13-22(15-7-4-3-5-8-15)21-18(16)17-9-6-12-24-17/h3-9,12-14H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2336057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).