N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide

C14H17N3O3S2 — CID 22176767

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(=O)Nc2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C14H17N3O3S2/c1-8(2)22(19,20)10-5-12(21-7-10)14(18)15-13-6-11(16-17-13)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyJXJSHRRUNWOODH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.78
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 22176767) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID22176767
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1csc(C(=O)Nc2cc(C3CC3)[nH]n2)c1
InChIInChI=1S/C14H17N3O3S2/c1-8(2)22(19,20)10-5-12(21-7-10)14(18)15-13-6-11(16-17-13)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyJXJSHRRUNWOODH-UHFFFAOYSA-N
XLogP2.78
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
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2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
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5-(acetamidomethyl)-N-[5-(4-tert-butylcyclohexyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
CID 75533535
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N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
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1-[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl]propan-2-ylcarbamic acid
CID 175923698
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 22176767) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide is CC(C)S(=O)(=O)c1csc(C(=O)Nc2cc(C3CC3)[nH]n2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is JXJSHRRUNWOODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-8(2)22(19,20)10-5-12(21-7-10)14(18)15-13-6-11(16-17-13)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 22176767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).