N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide

C17H22N4O2S — CID 49055288

IUPACN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c(C)s1
InChIInChI=1S/C17H22N4O2S/c1-11-7-15(12(2)24-11)17(23)20-14-8-18-21(9-14)10-16(22)19-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPRRHBXIQKIJTOA-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.87
Rot. Bonds5

About N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 49055288) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID49055288
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c(C)s1
InChIInChI=1S/C17H22N4O2S/c1-11-7-15(12(2)24-11)17(23)20-14-8-18-21(9-14)10-16(22)19-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPRRHBXIQKIJTOA-UHFFFAOYSA-N
XLogP2.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide (CID 49055288) is N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c(C)s1.
What is the InChIKey of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is PRRHBXIQKIJTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-7-15(12(2)24-11)17(23)20-14-8-18-21(9-14)10-16(22)19-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide?
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.87, 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]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 49055288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).