4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide

C17H22N4OS — CID 118433148

IUPAC4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C3CC3NC3CCC3)cs2)n(C)n1
InChIInChI=1S/C17H22N4OS/c1-10-6-16(21(2)20-10)19-17(22)15-7-11(9-23-15)13-8-14(13)18-12-4-3-5-12/h6-7,9,12-14,18H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyRTOSRKYYYFRCKX-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.04
Rot. Bonds5

About 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide

4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 118433148) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID118433148
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C3CC3NC3CCC3)cs2)n(C)n1
InChIInChI=1S/C17H22N4OS/c1-10-6-16(21(2)20-10)19-17(22)15-7-11(9-23-15)13-8-14(13)18-12-4-3-5-12/h6-7,9,12-14,18H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyRTOSRKYYYFRCKX-UHFFFAOYSA-N
XLogP3.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide (CID 118433148) is 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(C3CC3NC3CCC3)cs2)n(C)n1.
What is the InChIKey of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is RTOSRKYYYFRCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-10-6-16(21(2)20-10)19-17(22)15-7-11(9-23-15)13-8-14(13)18-12-4-3-5-12/h6-7,9,12-14,18H,3-5,8H2,1-2H3,(H,19,22).
What are the key properties of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide?
4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118433148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).