[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine

C14H17N3O — CID 113451475

IUPAC[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1CC1CCOc2ccccc21
InChIInChI=1S/C14H17N3O/c15-9-12-5-7-16-17(12)10-11-6-8-18-14-4-2-1-3-13(11)14/h1-5,7,11H,6,8-10,15H2
InChIKeySVVNZRWDYATTMA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds3

About [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine

[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine (PubChem CID 113451475) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
PubChem CID113451475
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
SMILESNCc1ccnn1CC1CCOc2ccccc21
InChIInChI=1S/C14H17N3O/c15-9-12-5-7-16-17(12)10-11-6-8-18-14-4-2-1-3-13(11)14/h1-5,7,11H,6,8-10,15H2
InChIKeySVVNZRWDYATTMA-UHFFFAOYSA-N
XLogP1.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(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)-3,5-dimethylpyrazol-4-amine
CID 104768444
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
CID 104772593
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)tetrazole-5-carboxylate
CID 104772435

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine (CID 113451475) is [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine is NCc1ccnn1CC1CCOc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine?
The InChIKey is SVVNZRWDYATTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-12-5-7-16-17(12)10-11-6-8-18-14-4-2-1-3-13(11)14/h1-5,7,11H,6,8-10,15H2.
What are the key properties of [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine?
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 113451475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).