N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide

C16H21N3O3 — CID 146146211

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide
SMILESCOCCn1cc(N(C=O)Cc2ccc(C)cc2OC)cn1
InChIInChI=1S/C16H21N3O3/c1-13-4-5-14(16(8-13)22-3)10-18(12-20)15-9-17-19(11-15)6-7-21-2/h4-5,8-9,11-12H,6-7,10H2,1-3H3
InChIKeyHVRYZZIRFUBRPS-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.01
Rot. Bonds8

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide

N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide (PubChem CID 146146211) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide
PubChem CID146146211
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide
SMILESCOCCn1cc(N(C=O)Cc2ccc(C)cc2OC)cn1
InChIInChI=1S/C16H21N3O3/c1-13-4-5-14(16(8-13)22-3)10-18(12-20)15-9-17-19(11-15)6-7-21-2/h4-5,8-9,11-12H,6-7,10H2,1-3H3
InChIKeyHVRYZZIRFUBRPS-UHFFFAOYSA-N
XLogP2.01
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)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

acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19283421
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729032
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one
CID 171489543
N-[[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62731772
3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
CID 172914750

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide (CID 146146211) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide is COCCn1cc(N(C=O)Cc2ccc(C)cc2OC)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide?
The InChIKey is HVRYZZIRFUBRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-13-4-5-14(16(8-13)22-3)10-18(12-20)15-9-17-19(11-15)6-7-21-2/h4-5,8-9,11-12H,6-7,10H2,1-3H3.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide has a molecular weight of 303.36 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(2-methoxy-4-methylphenyl)methyl]formamide is sourced from PubChem (CID 146146211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).