N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde

C19H29N3O2S — CID 143163396

IUPACN-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde
SMILESCNC1CCCCC1.Cc1nn(C2CCOCC2)c2sc(C=O)cc12
InChIInChI=1S/C12H14N2O2S.C7H15N/c1-8-11-6-10(7-15)17-12(11)14(13-8)9-2-4-16-5-3-9;1-8-7-5-3-2-4-6-7/h6-7,9H,2-5H2,1H3;7-8H,2-6H2,1H3
InChIKeyIFBJLJUFHJUABN-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.11
Rot. Bonds3

About N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde

N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde (PubChem CID 143163396) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde.

Molecular Properties

Compound NameN-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde
PubChem CID143163396
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde
SMILESCNC1CCCCC1.Cc1nn(C2CCOCC2)c2sc(C=O)cc12
InChIInChI=1S/C12H14N2O2S.C7H15N/c1-8-11-6-10(7-15)17-12(11)14(13-8)9-2-4-16-5-3-9;1-8-7-5-3-2-4-6-7/h6-7,9H,2-5H2,1H3;7-8H,2-6H2,1H3
InChIKeyIFBJLJUFHJUABN-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 71768828
3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole
CID 141129709
N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66827873
N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 176716446
1-cyclohexyl-N-[(6S)-1-hydroxy-3-oxo-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-6-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91108050
3-methyl-1-(oxan-4-yl)pyrazolo[5,4-b]pyridine-5-sulfinic acid
CID 165450130
[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
CID 89437723
1-cyclohexyl-N-[2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91472575
N-[(2S)-2-benzylpyrrolidin-1-yl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 140536552
1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91360653
1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 143163379
1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 11626353

Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
The IUPAC name of N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde (CID 143163396) is N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde.
What is the SMILES notation for N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
The canonical SMILES for N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde is CNC1CCCCC1.Cc1nn(C2CCOCC2)c2sc(C=O)cc12.
What is the InChIKey of N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
The InChIKey is IFBJLJUFHJUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S.C7H15N/c1-8-11-6-10(7-15)17-12(11)14(13-8)9-2-4-16-5-3-9;1-8-7-5-3-2-4-6-7/h6-7,9H,2-5H2,1H3;7-8H,2-6H2,1H3.
What are the key properties of N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde?
N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde has a molecular weight of 363.53 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexanamine;3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carbaldehyde is sourced from PubChem (CID 143163396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).