N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C20H25N5O2 — CID 78882620

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C20H25N5O2/c1-12-19(14(3)25(5)23-12)16-11-17(22-21-16)20(26)24(4)13(2)15-9-7-8-10-18(15)27-6/h7-11,13H,1-6H3,(H,21,22)
InChIKeyZDRFSNLYWVLRCA-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.27
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78882620) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78882620
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C20H25N5O2/c1-12-19(14(3)25(5)23-12)16-11-17(22-21-16)20(26)24(4)13(2)15-9-7-8-10-18(15)27-6/h7-11,13H,1-6H3,(H,21,22)
InChIKeyZDRFSNLYWVLRCA-UHFFFAOYSA-N
XLogP3.27
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16672053
N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119585172
N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 46963675
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880599
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881182
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881743
N-[3-(2-methoxyphenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16673124
2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 119346629
N-[1-(2-methoxyphenyl)ethyl]-N,1,3-trimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46588315
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78887048
N-(3-amino-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119998304

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78882620) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZDRFSNLYWVLRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12-19(14(3)25(5)23-12)16-11-17(22-21-16)20(26)24(4)13(2)15-9-7-8-10-18(15)27-6/h7-11,13H,1-6H3,(H,21,22).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78882620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).