N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide

C16H20N4O2S — CID 49055645

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H20N4O2S/c1-11-6-7-23-15(11)16(22)19-13-8-17-20(9-13)10-14(21)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyAKGAJMBLSYZDLF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.56
Rot. Bonds5

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 49055645) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID49055645
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H20N4O2S/c1-11-6-7-23-15(11)16(22)19-13-8-17-20(9-13)10-14(21)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,18,21)(H,19,22)
InChIKeyAKGAJMBLSYZDLF-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
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-ethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432902
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432983
4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432998

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide (CID 49055645) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is AKGAJMBLSYZDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-6-7-23-15(11)16(22)19-13-8-17-20(9-13)10-14(21)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 49055645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).