1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine

C15H21N3O2S — CID 118743264

IUPAC1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine
SMILESCOCCn1cc2c(n1)C(CNCc1ccsc1)OCC2
InChIInChI=1S/C15H21N3O2S/c1-19-6-4-18-10-13-2-5-20-14(15(13)17-18)9-16-8-12-3-7-21-11-12/h3,7,10-11,14,16H,2,4-6,8-9H2,1H3
InChIKeyNPKRWAWDAJRGOD-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.99
Rot. Bonds7

About 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine

1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 118743264) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine
PubChem CID118743264
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine
SMILESCOCCn1cc2c(n1)C(CNCc1ccsc1)OCC2
InChIInChI=1S/C15H21N3O2S/c1-19-6-4-18-10-13-2-5-20-14(15(13)17-18)9-16-8-12-3-7-21-11-12/h3,7,10-11,14,16H,2,4-6,8-9H2,1H3
InChIKeyNPKRWAWDAJRGOD-UHFFFAOYSA-N
XLogP1.99
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine
CID 121429654
N-benzyl-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121429757
1-methyl-3-(propan-2-yloxymethyl)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405717
3-(ethoxymethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97519889
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-3-ylacetamide
CID 118739797
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-3-carboxamide
CID 118739803
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-thiophen-3-ylacetamide
CID 118739807
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-3-carboxamide
CID 118743954
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 118745895
1-[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 118746273
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 75380170
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
CID 118743263

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine (CID 118743264) is 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine is COCCn1cc2c(n1)C(CNCc1ccsc1)OCC2.
What is the InChIKey of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is NPKRWAWDAJRGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-19-6-4-18-10-13-2-5-20-14(15(13)17-18)9-16-8-12-3-7-21-11-12/h3,7,10-11,14,16H,2,4-6,8-9H2,1H3.
What are the key properties of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine?
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 307.42 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 118743264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).