3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

C20H23N3O2 — CID 70754476

IUPAC3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCC3(Cn4cccn4)CC3)oc2c1C
InChIInChI=1S/C20H23N3O2/c1-13-5-6-16-15(3)18(25-17(16)14(13)2)19(24)21-11-20(7-8-20)12-23-10-4-9-22-23/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,21,24)
InChIKeySDNVGLDVFGQSKF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.76
Rot. Bonds5

About 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 70754476) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID70754476
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCC3(Cn4cccn4)CC3)oc2c1C
InChIInChI=1S/C20H23N3O2/c1-13-5-6-16-15(3)18(25-17(16)14(13)2)19(24)21-11-20(7-8-20)12-23-10-4-9-22-23/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,21,24)
InChIKeySDNVGLDVFGQSKF-UHFFFAOYSA-N
XLogP3.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 72929088
5-ethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 122563230
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122559752
5-propan-2-yl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-oxazole-4-carboxamide
CID 122563952
2-amino-6-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-4-carboxamide
CID 56702160
6-amino-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 91762623
2-methoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 122568384
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91774286
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide
CID 56743555
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 26394079

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (CID 70754476) is 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCC3(Cn4cccn4)CC3)oc2c1C.
What is the InChIKey of 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SDNVGLDVFGQSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-5-6-16-15(3)18(25-17(16)14(13)2)19(24)21-11-20(7-8-20)12-23-10-4-9-22-23/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70754476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).