1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide

C19H26N4O2 — CID 138004822

IUPAC1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide
SMILESCN(C)CCn1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C19H26N4O2/c1-19(2)13-16(14-7-5-6-8-17(14)25-19)20-18(24)15-9-10-23(21-15)12-11-22(3)4/h5-10,16H,11-13H2,1-4H3,(H,20,24)
InChIKeyKOPKAEWLZJVEHB-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide (PubChem CID 138004822) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide
PubChem CID138004822
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide
SMILESCN(C)CCn1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C19H26N4O2/c1-19(2)13-16(14-7-5-6-8-17(14)25-19)20-18(24)15-9-10-23(21-15)12-11-22(3)4/h5-10,16H,11-13H2,1-4H3,(H,20,24)
InChIKeyKOPKAEWLZJVEHB-UHFFFAOYSA-N
XLogP2.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
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CID 119797957
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99713364
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
CID 132652300
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133164751
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide (CID 138004822) is 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide is CN(C)CCn1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide?
The InChIKey is KOPKAEWLZJVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2)13-16(14-7-5-6-8-17(14)25-19)20-18(24)15-9-10-23(21-15)12-11-22(3)4/h5-10,16H,11-13H2,1-4H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138004822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).