N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide

C21H24N4O2 — CID 155517564

IUPACN-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCN(CCN(C)C(=O)n1cccn1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H24N4O2/c1-23(14-15-24(2)21(26)25-13-7-12-22-25)17-18-8-6-11-20(16-18)27-19-9-4-3-5-10-19/h3-13,16H,14-15,17H2,1-2H3
InChIKeyHKUYFVCIVKXABX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.71
Rot. Bonds7

About N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide

N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (PubChem CID 155517564) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
PubChem CID155517564
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCN(CCN(C)C(=O)n1cccn1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H24N4O2/c1-23(14-15-24(2)21(26)25-13-7-12-22-25)17-18-8-6-11-20(16-18)27-19-9-4-3-5-10-19/h3-13,16H,14-15,17H2,1-2H3
InChIKeyHKUYFVCIVKXABX-UHFFFAOYSA-N
XLogP3.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide 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

1-[4-[(4-Phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 92135986
1-[4-[(3-Phenylmethoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrazole-4-carbonitrile
CID 118526532
1-[4-[(4-Phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526583
1-[4-[(3-Phenoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrazole-4-carbonitrile
CID 118526672
1-[4-[(3-Phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526941
1-[4-[(4-Phenoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrazole-4-carbonitrile
CID 118526967
1-[4-[(3-Phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 155560740
3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid dimethylamide
CID 11198140
3-(4-Phenoxy-phenyl)-pyrazole-1-carboxylic acid amide
CID 11300443
(4-Methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526454
(4-Methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526605
[4-[(4-Phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526625

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (CID 155517564) is N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is CN(CCN(C)C(=O)n1cccn1)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The InChIKey is HKUYFVCIVKXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23(14-15-24(2)21(26)25-13-7-12-22-25)17-18-8-6-11-20(16-18)27-19-9-4-3-5-10-19/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is sourced from PubChem (CID 155517564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).