2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine

C14H17N3O — CID 81142691

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine
SMILESCC1(C)CC(n2nccc2N)c2ccccc2O1
InChIInChI=1S/C14H17N3O/c1-14(2)9-11(17-13(15)7-8-16-17)10-5-3-4-6-12(10)18-14/h3-8,11H,9,15H2,1-2H3
InChIKeyVPFQIFKARMGVEC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds1

About 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine

2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine (PubChem CID 81142691) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine
PubChem CID81142691
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine
SMILESCC1(C)CC(n2nccc2N)c2ccccc2O1
InChIInChI=1S/C14H17N3O/c1-14(2)9-11(17-13(15)7-8-16-17)10-5-3-4-6-12(10)18-14/h3-8,11H,9,15H2,1-2H3
InChIKeyVPFQIFKARMGVEC-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine
CID 81141956
2-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
CID 79927043
2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
CID 19895611
1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine
CID 81139908
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313667
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine
CID 16788368
(2,2-dimethyl-3,4-dihydrochromen-4-yl)methanethiol
CID 166881914
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid
CID 81131448
(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
CID 163222504
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
CID 81141496
N-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81136589
N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 113262696

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine (CID 81142691) is 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine is CC1(C)CC(n2nccc2N)c2ccccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine?
The InChIKey is VPFQIFKARMGVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2)9-11(17-13(15)7-8-16-17)10-5-3-4-6-12(10)18-14/h3-8,11H,9,15H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine?
2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazol-3-amine is sourced from PubChem (CID 81142691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).