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

C22H26N4O2 — CID 155537579

IUPACN,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)N(C)CCN(C)Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H26N4O2/c1-18-15-23-26(16-18)22(27)25(3)13-12-24(2)17-19-8-7-11-21(14-19)28-20-9-5-4-6-10-20/h4-11,14-16H,12-13,17H2,1-3H3
InChIKeyMYFIUXUQFSXNEG-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.02
Rot. Bonds7

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

N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (PubChem CID 155537579) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
PubChem CID155537579
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)N(C)CCN(C)Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H26N4O2/c1-18-15-23-26(16-18)22(27)25(3)13-12-24(2)17-19-8-7-11-21(14-19)28-20-9-5-4-6-10-20/h4-11,14-16H,12-13,17H2,1-3H3
InChIKeyMYFIUXUQFSXNEG-UHFFFAOYSA-N
XLogP4.02
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.02
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,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The IUPAC name of N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide (CID 155537579) is N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is Cc1cnn(C(=O)N(C)CCN(C)Cc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
The InChIKey is MYFIUXUQFSXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-18-15-23-26(16-18)22(27)25(3)13-12-24(2)17-19-8-7-11-21(14-19)28-20-9-5-4-6-10-20/h4-11,14-16H,12-13,17H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide?
N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.02, 7 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-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide is sourced from PubChem (CID 155537579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).