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

C22H26N4O2 — CID 155529475

IUPACN-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCN(CCN(C)C(=O)n1cccn1)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-24(14-15-25(2)22(27)26-13-7-12-23-26)17-20-10-6-11-21(16-20)28-18-19-8-4-3-5-9-19/h3-13,16H,14-15,17-18H2,1-2H3
InChIKeyANRJTRRUIVNTPM-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.49
Rot. Bonds8

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

N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (PubChem CID 155529475) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
PubChem CID155529475
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCN(CCN(C)C(=O)n1cccn1)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H26N4O2/c1-24(14-15-25(2)22(27)26-13-7-12-23-26)17-20-10-6-11-21(16-20)28-18-19-8-4-3-5-9-19/h3-13,16H,14-15,17-18H2,1-2H3
InChIKeyANRJTRRUIVNTPM-UHFFFAOYSA-N
XLogP3.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(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
(4-Methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526627

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (CID 155529475) is N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is CN(CCN(C)C(=O)n1cccn1)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The InChIKey is ANRJTRRUIVNTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24(14-15-25(2)22(27)26-13-7-12-23-26)17-20-10-6-11-21(16-20)28-18-19-8-4-3-5-9-19/h3-13,16H,14-15,17-18H2,1-2H3.
What are the key properties of N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.49, 8 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-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is sourced from PubChem (CID 155529475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).