N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide

C23H28N4O2 — CID 155561632

IUPACN,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)N(C)CCN(C)Cc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H28N4O2/c1-19-15-24-27(16-19)23(28)26(3)13-12-25(2)17-21-10-7-11-22(14-21)29-18-20-8-5-4-6-9-20/h4-11,14-16H,12-13,17-18H2,1-3H3
InChIKeyVTNRTCMDBFWJQI-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.80
Rot. Bonds8

About N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide

N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (PubChem CID 155561632) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
PubChem CID155561632
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)N(C)CCN(C)Cc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H28N4O2/c1-19-15-24-27(16-19)23(28)26(3)13-12-25(2)17-21-10-7-11-22(14-21)29-18-20-8-5-4-6-9-20/h4-11,14-16H,12-13,17-18H2,1-3H3
InChIKeyVTNRTCMDBFWJQI-UHFFFAOYSA-N
XLogP3.80
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)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
(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,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The IUPAC name of N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (CID 155561632) is N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is Cc1cnn(C(=O)N(C)CCN(C)Cc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The InChIKey is VTNRTCMDBFWJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-19-15-24-27(16-19)23(28)26(3)13-12-25(2)17-21-10-7-11-22(14-21)29-18-20-8-5-4-6-9-20/h4-11,14-16H,12-13,17-18H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is sourced from PubChem (CID 155561632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).