5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide

C16H20N4O2S — CID 78835001

IUPAC5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H20N4O2S/c1-9(2)20-12(6-7-17-20)18-16(22)14-10(3)8-13(23-14)19-15(21)11-4-5-11/h6-9,11H,4-5H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyZLFYLLFWHDTIDH-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.43
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 78835001) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID78835001
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H20N4O2S/c1-9(2)20-12(6-7-17-20)18-16(22)14-10(3)8-13(23-14)19-15(21)11-4-5-11/h6-9,11H,4-5H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyZLFYLLFWHDTIDH-UHFFFAOYSA-N
XLogP3.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119268271
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
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5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 110887462
2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 78772783
5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 78835864
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 66031864
5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 86930423
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794761
5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 110886322

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide (CID 78835001) is 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is ZLFYLLFWHDTIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9(2)20-12(6-7-17-20)18-16(22)14-10(3)8-13(23-14)19-15(21)11-4-5-11/h6-9,11H,4-5H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78835001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).