(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide

C17H19N3O2 — CID 97112822

IUPAC(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCc1oc2ccccc2c1C)n1cccn1
InChIInChI=1S/C17H19N3O2/c1-3-14(20-10-6-9-19-20)17(21)18-11-16-12(2)13-7-4-5-8-15(13)22-16/h4-10,14H,3,11H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyMMMJSUYJJCBFEK-CQSZACIVSA-N
MW297.36 g/mol
LogP3.21
Rot. Bonds5

About (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide

(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97112822) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID97112822
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCc1oc2ccccc2c1C)n1cccn1
InChIInChI=1S/C17H19N3O2/c1-3-14(20-10-6-9-19-20)17(21)18-11-16-12(2)13-7-4-5-8-15(13)22-16/h4-10,14H,3,11H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyMMMJSUYJJCBFEK-CQSZACIVSA-N
XLogP3.21
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97112821
(2S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 124730361
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
(2S)-N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97119973
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 72862860
N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97131726
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 97112822) is (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)NCc1oc2ccccc2c1C)n1cccn1.
What is the InChIKey of (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is MMMJSUYJJCBFEK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-14(20-10-6-9-19-20)17(21)18-11-16-12(2)13-7-4-5-8-15(13)22-16/h4-10,14H,3,11H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide?
(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 297.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97112822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).