4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C14H20N4O2S — CID 114759400

IUPAC4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC3(CCO)CC3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-8-9-10(15)11(21-13(9)18(2)17-8)12(20)16-7-14(3-4-14)5-6-19/h19H,3-7,15H2,1-2H3,(H,16,20)
InChIKeyIZPPLDFYRPAOBJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.42
Rot. Bonds5

About 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 114759400) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID114759400
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC3(CCO)CC3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-8-9-10(15)11(21-13(9)18(2)17-8)12(20)16-7-14(3-4-14)5-6-19/h19H,3-7,15H2,1-2H3,(H,16,20)
InChIKeyIZPPLDFYRPAOBJ-UHFFFAOYSA-N
XLogP1.42
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 106215559
3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 114759397
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 114751386
3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
CID 114759403
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 79376725
4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 114107091
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 114759737
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114759727
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 114759729
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187193
4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 81063841
4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 82942875

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 114759400) is 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCC3(CCO)CC3)c(N)c12.
What is the InChIKey of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IZPPLDFYRPAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-8-9-10(15)11(21-13(9)18(2)17-8)12(20)16-7-14(3-4-14)5-6-19/h19H,3-7,15H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 114759400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).