2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline

C13H15N3O — CID 105486767

IUPAC2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
SMILESCc1nn(-c2ccccc2N)c2c1CCOC2
InChIInChI=1S/C13H15N3O/c1-9-10-6-7-17-8-13(10)16(15-9)12-5-3-2-4-11(12)14/h2-5H,6-8,14H2,1H3
InChIKeyDNTPPQFJQFGYDT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.84
Rot. Bonds1

About 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline

2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline (PubChem CID 105486767) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
PubChem CID105486767
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
SMILESCc1nn(-c2ccccc2N)c2c1CCOC2
InChIInChI=1S/C13H15N3O/c1-9-10-6-7-17-8-13(10)16(15-9)12-5-3-2-4-11(12)14/h2-5H,6-8,14H2,1H3
InChIKeyDNTPPQFJQFGYDT-UHFFFAOYSA-N
XLogP1.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
CID 105486775
1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 102942928
2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 105485759
[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862188
1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 170067075
2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
CID 105480725
2-(1,2,4-triazol-4-yl)aniline
CID 21271854
2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol
CID 105491379
1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 102943085
3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
CID 54109780
4-(2-aminophenyl)morpholine-3,5-dione
CID 61326987
2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol
CID 83861535

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline?
The IUPAC name of 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline (CID 105486767) is 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline.
What is the SMILES notation for 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline?
The canonical SMILES for 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline is Cc1nn(-c2ccccc2N)c2c1CCOC2.
What is the InChIKey of 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline?
The InChIKey is DNTPPQFJQFGYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-10-6-7-17-8-13(10)16(15-9)12-5-3-2-4-11(12)14/h2-5H,6-8,14H2,1H3.
What are the key properties of 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline?
2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline has a molecular weight of 229.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline is sourced from PubChem (CID 105486767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).