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

C21H19N3O3 — CID 90549359

IUPAC3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C#CCNC(=O)c1cc(-c2ccccc2OC)n[nH]1
InChIInChI=1S/C21H19N3O3/c1-26-19-11-5-3-8-15(19)9-7-13-22-21(25)18-14-17(23-24-18)16-10-4-6-12-20(16)27-2/h3-6,8,10-12,14H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLPYCTMDSJXTWDX-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.88
Rot. Bonds5

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

3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide (PubChem CID 90549359) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
PubChem CID90549359
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C#CCNC(=O)c1cc(-c2ccccc2OC)n[nH]1
InChIInChI=1S/C21H19N3O3/c1-26-19-11-5-3-8-15(19)9-7-13-22-21(25)18-14-17(23-24-18)16-10-4-6-12-20(16)27-2/h3-6,8,10-12,14H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLPYCTMDSJXTWDX-UHFFFAOYSA-N
XLogP2.88
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90580562
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549206
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 110000867
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224
3-(4-fluorophenyl)-N-[3-(2-fluorophenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90547769
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
N-[4-(3-bromophenoxy)but-2-ynyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90576392

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide (CID 90549359) is 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide is COc1ccccc1C#CCNC(=O)c1cc(-c2ccccc2OC)n[nH]1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LPYCTMDSJXTWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-19-11-5-3-8-15(19)9-7-13-22-21(25)18-14-17(23-24-18)16-10-4-6-12-20(16)27-2/h3-6,8,10-12,14H,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90549359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).