1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine

C15H19N3O — CID 104768444

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(CC2CCOc3ccccc32)c(C)c1N
InChIInChI=1S/C15H19N3O/c1-10-15(16)11(2)18(17-10)9-12-7-8-19-14-6-4-3-5-13(12)14/h3-6,12H,7-9,16H2,1-2H3
InChIKeyPYAUGHGPZGURCM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 104768444) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
PubChem CID104768444
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(CC2CCOc3ccccc32)c(C)c1N
InChIInChI=1S/C15H19N3O/c1-10-15(16)11(2)18(17-10)9-12-7-8-19-14-6-4-3-5-13(12)14/h3-6,12H,7-9,16H2,1-2H3
InChIKeyPYAUGHGPZGURCM-UHFFFAOYSA-N
XLogP2.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
CID 113451475
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)tetrazole-5-carboxylate
CID 104772435
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline
CID 166216140
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105179822
3,4-dihydro-2H-chromen-4-ylmethyl 1,3-dimethylpyrazole-4-carboxylate
CID 86793572
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine (CID 104768444) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine is Cc1nn(CC2CCOc3ccccc32)c(C)c1N.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is PYAUGHGPZGURCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-15(16)11(2)18(17-10)9-12-7-8-19-14-6-4-3-5-13(12)14/h3-6,12H,7-9,16H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 104768444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).