4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

C17H22N4OS — CID 118432730

IUPAC4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NC1CCC1
InChIInChI=1S/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyFNFVTNNWNCYKMO-LSDHHAIUSA-N
MW330.46 g/mol
LogP3.04
Rot. Bonds5

About 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 118432730) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID118432730
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NC1CCC1
InChIInChI=1S/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyFNFVTNNWNCYKMO-LSDHHAIUSA-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

Analyze 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
3-(trans-2-(cyclobutyl-amino)cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide dihydrochloride
CID 118304472
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432690
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432727
4-(trans-2-(cyclobutylamino)-cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432752
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432794
N-(1,3-dimethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432830
N-(1-ethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432902

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (CID 118432730) is 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NC1CCC1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is FNFVTNNWNCYKMO-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-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-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).