3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide

C22H21N3O3 — CID 90549371

IUPAC3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1C#CCNC(=O)c1cc(-c2ccccc2OC)nn1C
InChIInChI=1S/C22H21N3O3/c1-25-19(15-18(24-25)17-11-5-7-13-21(17)28-3)22(26)23-14-8-10-16-9-4-6-12-20(16)27-2/h4-7,9,11-13,15H,14H2,1-3H3,(H,23,26)
InChIKeySGQJRFDAPNNZHD-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.89
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide (PubChem CID 90549371) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
PubChem CID90549371
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1C#CCNC(=O)c1cc(-c2ccccc2OC)nn1C
InChIInChI=1S/C22H21N3O3/c1-25-19(15-18(24-25)17-11-5-7-13-21(17)28-3)22(26)23-14-8-10-16-9-4-6-12-20(16)27-2/h4-7,9,11-13,15H,14H2,1-3H3,(H,23,26)
InChIKeySGQJRFDAPNNZHD-UHFFFAOYSA-N
XLogP2.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90575671
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90552002
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105412
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42879371
3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549206
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]pyrazole-5-carboxamide
CID 90579434
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
CID 90556383
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide (CID 90549371) is 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide is COc1ccccc1C#CCNC(=O)c1cc(-c2ccccc2OC)nn1C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is SGQJRFDAPNNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25-19(15-18(24-25)17-11-5-7-13-21(17)28-3)22(26)23-14-8-10-16-9-4-6-12-20(16)27-2/h4-7,9,11-13,15H,14H2,1-3H3,(H,23,26).
What are the key properties of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90549371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).