N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide

C20H23N5O2 — CID 166415568

IUPACN-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1-c1ccnn1C)c1ccn(CCOC)n1
InChIInChI=1S/C20H23N5O2/c1-4-20(26)25(19-10-12-24(22-19)13-14-27-3)15-16-7-5-6-8-17(16)18-9-11-21-23(18)2/h4-12H,1,13-15H2,2-3H3
InChIKeyZGSBSDBMUFZEFI-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.65
Rot. Bonds8

About N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide

N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide (PubChem CID 166415568) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide
PubChem CID166415568
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1-c1ccnn1C)c1ccn(CCOC)n1
InChIInChI=1S/C20H23N5O2/c1-4-20(26)25(19-10-12-24(22-19)13-14-27-3)15-16-7-5-6-8-17(16)18-9-11-21-23(18)2/h4-12H,1,13-15H2,2-3H3
InChIKeyZGSBSDBMUFZEFI-UHFFFAOYSA-N
XLogP2.65
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
CID 86804008
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-3-yl)methyl]prop-2-enamide
CID 166424346
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
N-(2,4-difluoro-5-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 166419882
2-(1-benzylpyrazol-4-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 166259503
3-[2-[2-(2-methylpyrazol-3-yl)phenoxy]ethoxy]propanoic acid
CID 167855101
1-methyl-5-[2-nitro-4,5-bis(phenylmethoxy)phenyl]pyrazole
CID 162504727
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
(2R)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 95328936
3-iodo-1-(2-methoxyethyl)pyrazole
CID 79788054

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide (CID 166415568) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide is C=CC(=O)N(Cc1ccccc1-c1ccnn1C)c1ccn(CCOC)n1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide?
The InChIKey is ZGSBSDBMUFZEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-20(26)25(19-10-12-24(22-19)13-14-27-3)15-16-7-5-6-8-17(16)18-9-11-21-23(18)2/h4-12H,1,13-15H2,2-3H3.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide?
N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide has a molecular weight of 365.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N-[[2-(2-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 166415568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).