N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide

C19H22N4O2S — CID 32632343

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccsc1)N(C)C
InChIInChI=1S/C19H22N4O2S/c1-22(2)16(14-9-10-26-13-14)11-20-19(24)18-17(25-3)12-23(21-18)15-7-5-4-6-8-15/h4-10,12-13,16H,11H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyVZELSDFLCJPFTP-MRXNPFEDSA-N
MW370.48 g/mol
LogP2.98
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 32632343) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID32632343
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccsc1)N(C)C
InChIInChI=1S/C19H22N4O2S/c1-22(2)16(14-9-10-26-13-14)11-20-19(24)18-17(25-3)12-23(21-18)15-7-5-4-6-8-15/h4-10,12-13,16H,11H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyVZELSDFLCJPFTP-MRXNPFEDSA-N
XLogP2.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51251063
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 24502018
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-nitrobenzamide
CID 32631383
1-benzyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46592121
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 32632343) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccsc1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is VZELSDFLCJPFTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-22(2)16(14-9-10-26-13-14)11-20-19(24)18-17(25-3)12-23(21-18)15-7-5-4-6-8-15/h4-10,12-13,16H,11H2,1-3H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 32632343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).