(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide

C19H23N5O2 — CID 95894294

IUPAC(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C[C@@H](C)n3ccnc3)cn2)c1
InChIInChI=1S/C19H23N5O2/c1-15(23-8-7-20-14-23)9-19(25)22(2)12-16-11-21-24(13-16)17-5-4-6-18(10-17)26-3/h4-8,10-11,13-15H,9,12H2,1-3H3/t15-/m1/s1
InChIKeyGYBNUTVJCINCRD-OAHLLOKOSA-N
MW353.43 g/mol
LogP2.69
Rot. Bonds7

About (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide

(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide (PubChem CID 95894294) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
PubChem CID95894294
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C[C@@H](C)n3ccnc3)cn2)c1
InChIInChI=1S/C19H23N5O2/c1-15(23-8-7-20-14-23)9-19(25)22(2)12-16-11-21-24(13-16)17-5-4-6-18(10-17)26-3/h4-8,10-11,13-15H,9,12H2,1-3H3/t15-/m1/s1
InChIKeyGYBNUTVJCINCRD-OAHLLOKOSA-N
XLogP2.69
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide
CID 70731822
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 124757474
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
(3S)-3-imidazol-1-yl-N-(3-methoxyphenyl)butanamide
CID 92749514
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56884552

Frequently Asked Questions

What is the IUPAC name of (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide?
The IUPAC name of (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide (CID 95894294) is (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide.
What is the SMILES notation for (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide?
The canonical SMILES for (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide is COc1cccc(-n2cc(CN(C)C(=O)C[C@@H](C)n3ccnc3)cn2)c1.
What is the InChIKey of (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide?
The InChIKey is GYBNUTVJCINCRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-15(23-8-7-20-14-23)9-19(25)22(2)12-16-11-21-24(13-16)17-5-4-6-18(10-17)26-3/h4-8,10-11,13-15H,9,12H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide?
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide has a molecular weight of 353.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide is sourced from PubChem (CID 95894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).