(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C14H17N3O — CID 103571287

IUPAC(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCn1cc(C2C[C@H](N)c3ccccc3O2)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-9-10(8-16-17)14-7-12(15)11-5-3-4-6-13(11)18-14/h3-6,8-9,12,14H,2,7,15H2,1H3/t12-,14?/m0/s1
InChIKeyMQBYZSHTTTYSOP-NBFOIZRFSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds2

About (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103571287) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103571287
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCn1cc(C2C[C@H](N)c3ccccc3O2)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-9-10(8-16-17)14-7-12(15)11-5-3-4-6-13(11)18-14/h3-6,8-9,12,14H,2,7,15H2,1H3/t12-,14?/m0/s1
InChIKeyMQBYZSHTTTYSOP-NBFOIZRFSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 103571287) is (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CCn1cc(C2C[C@H](N)c3ccccc3O2)cn1.
What is the InChIKey of (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MQBYZSHTTTYSOP-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-9-10(8-16-17)14-7-12(15)11-5-3-4-6-13(11)18-14/h3-6,8-9,12,14H,2,7,15H2,1H3/t12-,14?/m0/s1.
What are the key properties of (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103571287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).