anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide

C21H25N3O3 — CID 144628735

IUPACanisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide
SMILESCOc1ccccc1.Cc1c(CC(C)O)nn(-c2ccccc2)c1NC=O
InChIInChI=1S/C14H17N3O2.C7H8O/c1-10(19)8-13-11(2)14(15-9-18)17(16-13)12-6-4-3-5-7-12;1-8-7-5-3-2-4-6-7/h3-7,9-10,19H,8H2,1-2H3,(H,15,18);2-6H,1H3
InChIKeyOPJQFQCMXVBMFI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.37
Rot. Bonds6

About anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide

anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide (PubChem CID 144628735) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide.

Molecular Properties

Compound Nameanisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide
PubChem CID144628735
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameanisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide
SMILESCOc1ccccc1.Cc1c(CC(C)O)nn(-c2ccccc2)c1NC=O
InChIInChI=1S/C14H17N3O2.C7H8O/c1-10(19)8-13-11(2)14(15-9-18)17(16-13)12-6-4-3-5-7-12;1-8-7-5-3-2-4-6-7/h3-7,9-10,19H,8H2,1-2H3,(H,15,18);2-6H,1H3
InChIKeyOPJQFQCMXVBMFI-UHFFFAOYSA-N
XLogP3.37
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
1-[5-[[[[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]amino]-hydroxymethyl]amino]-4-methyl-1-phenylpyrazol-3-yl]propan-2-ol
CID 123428756
2-(4-methoxyphenyl)-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 11877691
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
1-(3-methoxyphenyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridazin-4-one
CID 82421034
5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium
CID 10568626
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061

Frequently Asked Questions

What is the IUPAC name of anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide?
The IUPAC name of anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide (CID 144628735) is anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide.
What is the SMILES notation for anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide?
The canonical SMILES for anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide is COc1ccccc1.Cc1c(CC(C)O)nn(-c2ccccc2)c1NC=O.
What is the InChIKey of anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide?
The InChIKey is OPJQFQCMXVBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.C7H8O/c1-10(19)8-13-11(2)14(15-9-18)17(16-13)12-6-4-3-5-7-12;1-8-7-5-3-2-4-6-7/h3-7,9-10,19H,8H2,1-2H3,(H,15,18);2-6H,1H3.
What are the key properties of anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide?
anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide has a molecular weight of 367.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;N-[5-(2-hydroxypropyl)-4-methyl-2-phenylpyrazol-3-yl]formamide is sourced from PubChem (CID 144628735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).