N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide

C18H25N3O2 — CID 146146108

IUPACN-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide
SMILESCC(C)(C)CC(CO)N(C=O)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)11-17(13-22)20(14-23)12-15-6-4-7-16(10-15)21-9-5-8-19-21/h4-10,14,17,22H,11-13H2,1-3H3
InChIKeyQPTGTJJJIHMMHJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.63
Rot. Bonds7

About N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide

N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide (PubChem CID 146146108) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide
PubChem CID146146108
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide
SMILESCC(C)(C)CC(CO)N(C=O)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)11-17(13-22)20(14-23)12-15-6-4-7-16(10-15)21-9-5-8-19-21/h4-10,14,17,22H,11-13H2,1-3H3
InChIKeyQPTGTJJJIHMMHJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide 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

2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
CID 112699473
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
N,2-dimethyl-3-morpholin-4-yl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 91843383
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
CID 77094848
ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
CID 137463417
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
N,3,5-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90649991
3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 72863298

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide (CID 146146108) is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide is CC(C)(C)CC(CO)N(C=O)Cc1cccc(-n2cccn2)c1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide?
The InChIKey is QPTGTJJJIHMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)11-17(13-22)20(14-23)12-15-6-4-7-16(10-15)21-9-5-8-19-21/h4-10,14,17,22H,11-13H2,1-3H3.
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide?
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide has a molecular weight of 315.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide is sourced from PubChem (CID 146146108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).