N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide

C17H20N4O2 — CID 95755232

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3cc(CN(C)C)[nH]n3)oc2c1
InChIInChI=1S/C17H20N4O2/c1-10-5-6-13-11(2)16(23-14(13)7-10)17(22)18-15-8-12(19-20-15)9-21(3)4/h5-8H,9H2,1-4H3,(H2,18,19,20,22)
InChIKeyMKPKRBMKWAOZOB-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.09
Rot. Bonds4

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 95755232) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID95755232
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3cc(CN(C)C)[nH]n3)oc2c1
InChIInChI=1S/C17H20N4O2/c1-10-5-6-13-11(2)16(23-14(13)7-10)17(22)18-15-8-12(19-20-15)9-21(3)4/h5-8H,9H2,1-4H3,(H2,18,19,20,22)
InChIKeyMKPKRBMKWAOZOB-UHFFFAOYSA-N
XLogP3.09
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 95755127
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2219584
N-[1-(cyanomethyl)pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95754850
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 95755102
4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747890
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 95755153
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
3,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 9120446
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide
CID 95755256
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 95755104
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 95755232) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)Nc3cc(CN(C)C)[nH]n3)oc2c1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is MKPKRBMKWAOZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-5-6-13-11(2)16(23-14(13)7-10)17(22)18-15-8-12(19-20-15)9-21(3)4/h5-8H,9H2,1-4H3,(H2,18,19,20,22).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95755232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).