N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide

C17H22N4O3S — CID 131689567

IUPACN-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
SMILESCn1nc(CNC(=O)C2CCOC2)c2cc(C(=O)NC3CCC3)sc21
InChIInChI=1S/C17H22N4O3S/c1-21-17-12(7-14(25-17)16(23)19-11-3-2-4-11)13(20-21)8-18-15(22)10-5-6-24-9-10/h7,10-11H,2-6,8-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyBTVXVABHEZFRIQ-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.57
Rot. Bonds5

About N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide

N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 131689567) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID131689567
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
SMILESCn1nc(CNC(=O)C2CCOC2)c2cc(C(=O)NC3CCC3)sc21
InChIInChI=1S/C17H22N4O3S/c1-21-17-12(7-14(25-17)16(23)19-11-3-2-4-11)13(20-21)8-18-15(22)10-5-6-24-9-10/h7,10-11H,2-6,8-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyBTVXVABHEZFRIQ-UHFFFAOYSA-N
XLogP1.57
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
CID 131689572
3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide
CID 131689279
1-methyl-N-piperidin-3-yl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119427314
(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
CID 95100451
cis-(1S,3R)-3-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675311
(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide
CID 129355114
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119457590
1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
CID 131689376
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44821658
1-methyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29096851
3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 71768828
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 146148732

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide (CID 131689567) is N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide is Cn1nc(CNC(=O)C2CCOC2)c2cc(C(=O)NC3CCC3)sc21.
What is the InChIKey of N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is BTVXVABHEZFRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21-17-12(7-14(25-17)16(23)19-11-3-2-4-11)13(20-21)8-18-15(22)10-5-6-24-9-10/h7,10-11H,2-6,8-9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 131689567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).