[4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol

C14H17N3O3 — CID 123917738

IUPAC[4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol
SMILESCOC(O)c1ccc(Cn2nc(C)c(N=O)c2C)cc1
InChIInChI=1S/C14H17N3O3/c1-9-13(16-19)10(2)17(15-9)8-11-4-6-12(7-5-11)14(18)20-3/h4-7,14,18H,8H2,1-3H3
InChIKeyMVTWBAPJSYPTFC-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.58
Rot. Bonds5

About [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol

[4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol (PubChem CID 123917738) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol
PubChem CID123917738
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol
SMILESCOC(O)c1ccc(Cn2nc(C)c(N=O)c2C)cc1
InChIInChI=1S/C14H17N3O3/c1-9-13(16-19)10(2)17(15-9)8-11-4-6-12(7-5-11)14(18)20-3/h4-7,14,18H,8H2,1-3H3
InChIKeyMVTWBAPJSYPTFC-UHFFFAOYSA-N
XLogP2.58
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole
CID 118191365
3,5-dimethyl-1-[(4-methylsulfonylphenyl)methyl]-4-nitrosopyrazole
CID 123924694
1-[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727449
1-[(4-bromophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole
CID 7017380
2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071750
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8600570
4-(1-chloropropyl)-3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole
CID 63514750
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
2-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63278520
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8986662

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol?
The IUPAC name of [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol (CID 123917738) is [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol.
What is the SMILES notation for [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol?
The canonical SMILES for [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol is COC(O)c1ccc(Cn2nc(C)c(N=O)c2C)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol?
The InChIKey is MVTWBAPJSYPTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-13(16-19)10(2)17(15-9)8-11-4-6-12(7-5-11)14(18)20-3/h4-7,14,18H,8H2,1-3H3.
What are the key properties of [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol?
[4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol has a molecular weight of 275.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-4-nitrosopyrazol-1-yl)methyl]phenyl]-methoxymethanol is sourced from PubChem (CID 123917738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).