N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C18H22N4O3 — CID 121023303

IUPACN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(c1cc2ccccc2o1)N(C)C
InChIInChI=1S/C18H22N4O3/c1-21(2)14(16-9-12-7-5-6-8-15(12)25-16)10-19-17(23)13-11-22(3)20-18(13)24-4/h5-9,11,14H,10H2,1-4H3,(H,19,23)
InChIKeyWGYPERBRTKDAAH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121023303) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121023303
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(c1cc2ccccc2o1)N(C)C
InChIInChI=1S/C18H22N4O3/c1-21(2)14(16-9-12-7-5-6-8-15(12)25-16)10-19-17(23)13-11-22(3)20-18(13)24-4/h5-9,11,14H,10H2,1-4H3,(H,19,23)
InChIKeyWGYPERBRTKDAAH-UHFFFAOYSA-N
XLogP2.21
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 41318549
N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-(furan-3-yl)prop-2-enamide
CID 171136921
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 97416798
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008766
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122252982
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 90598012
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869
3-methoxy-1-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 90604624
N-[6-(hydrazinecarbonyl)-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381550

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121023303) is N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(c1cc2ccccc2o1)N(C)C.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is WGYPERBRTKDAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(2)14(16-9-12-7-5-6-8-15(12)25-16)10-19-17(23)13-11-22(3)20-18(13)24-4/h5-9,11,14H,10H2,1-4H3,(H,19,23).
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121023303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).