N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

C15H22N4OS — CID 49089067

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnn(CCN(C)C)c2)cc1C
InChIInChI=1S/C15H22N4OS/c1-5-13-11(2)8-14(21-13)15(20)17-12-9-16-19(10-12)7-6-18(3)4/h8-10H,5-7H2,1-4H3,(H,17,20)
InChIKeyCWQHKWFUONVSFO-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.63
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 49089067) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID49089067
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnn(CCN(C)C)c2)cc1C
InChIInChI=1S/C15H22N4OS/c1-5-13-11(2)8-14(21-13)15(20)17-12-9-16-19(10-12)7-6-18(3)4/h8-10H,5-7H2,1-4H3,(H,17,20)
InChIKeyCWQHKWFUONVSFO-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
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-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 842099
N-[2-(diethylamino)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
CID 9551906
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 49089067) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cnn(CCN(C)C)c2)cc1C.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is CWQHKWFUONVSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-13-11(2)8-14(21-13)15(20)17-12-9-16-19(10-12)7-6-18(3)4/h8-10H,5-7H2,1-4H3,(H,17,20).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 49089067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).