N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C20H21N5OS — CID 44823985

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C20H21N5OS/c1-12(17-11-24(4)22-14(17)3)21-19(26)18-10-16-13(2)23-25(20(16)27-18)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,21,26)
InChIKeyGXHMNAOVZIQTSJ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 44823985) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID44823985
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C20H21N5OS/c1-12(17-11-24(4)22-14(17)3)21-19(26)18-10-16-13(2)23-25(20(16)27-18)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,21,26)
InChIKeyGXHMNAOVZIQTSJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
1-(4-fluorophenyl)-3-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 95053217
N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092207
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44824032
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 29096960
dimethyl-[(2R)-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-phenylethyl]azanium
CID 8936421
3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 99811426
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 44823985) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)cc1C(C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GXHMNAOVZIQTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-12(17-11-24(4)22-14(17)3)21-19(26)18-10-16-13(2)23-25(20(16)27-18)15-8-6-5-7-9-15/h5-12H,1-4H3,(H,21,26).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 44823985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).