4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C14H22N4O2S — CID 79376725

IUPAC4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1sc2c(c(C)nn2C)c1N
InChIInChI=1S/C14H22N4O2S/c1-6-18(7-14(3,4)20)12(19)11-10(15)9-8(2)16-17(5)13(9)21-11/h20H,6-7,15H2,1-5H3
InChIKeySUDLZIRCQUYVCV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds4

About 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 79376725) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID79376725
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1sc2c(c(C)nn2C)c1N
InChIInChI=1S/C14H22N4O2S/c1-6-18(7-14(3,4)20)12(19)11-10(15)9-8(2)16-17(5)13(9)21-11/h20H,6-7,15H2,1-5H3
InChIKeySUDLZIRCQUYVCV-UHFFFAOYSA-N
XLogP1.76
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79379584
4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 82942875
4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 81063841
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 114759400
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187193
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 79380356
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932442
4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 106215559
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79384572
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961435
1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 82184007
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 79384969

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 79376725) is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CC(C)(C)O)C(=O)c1sc2c(c(C)nn2C)c1N.
What is the InChIKey of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SUDLZIRCQUYVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-6-18(7-14(3,4)20)12(19)11-10(15)9-8(2)16-17(5)13(9)21-11/h20H,6-7,15H2,1-5H3.
What are the key properties of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 79376725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).