5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine

C15H20N4O — CID 66015832

IUPAC5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCOc3ccccc32)c1N
InChIInChI=1S/C15H20N4O/c1-3-11-14(16)15(19(2)18-11)17-12-8-9-20-13-7-5-4-6-10(12)13/h4-7,12,17H,3,8-9,16H2,1-2H3
InChIKeyHIAKRFADJOXWMZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds3

About 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66015832) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66015832
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCOc3ccccc32)c1N
InChIInChI=1S/C15H20N4O/c1-3-11-14(16)15(19(2)18-11)17-12-8-9-20-13-7-5-4-6-10(12)13/h4-7,12,17H,3,8-9,16H2,1-2H3
InChIKeyHIAKRFADJOXWMZ-UHFFFAOYSA-N
XLogP2.50
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one
CID 66015628
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326094
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43693706

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66015832) is 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NC2CCOc3ccccc32)c1N.
What is the InChIKey of 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is HIAKRFADJOXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-11-14(16)15(19(2)18-11)17-12-8-9-20-13-7-5-4-6-10(12)13/h4-7,12,17H,3,8-9,16H2,1-2H3.
What are the key properties of 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66015832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).