N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide

C23H24N4O4 — CID 26325836

IUPACN-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESC#CCN(Cc1ccco1)C(=O)Cn1cc(NC(=O)CCc2ccccc2OC)cn1
InChIInChI=1S/C23H24N4O4/c1-3-12-26(16-20-8-6-13-31-20)23(29)17-27-15-19(14-24-27)25-22(28)11-10-18-7-4-5-9-21(18)30-2/h1,4-9,13-15H,10-12,16-17H2,2H3,(H,25,28)
InChIKeySDIGEQLUPJLTOQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.72
Rot. Bonds10

About N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide

N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 26325836) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID26325836
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESC#CCN(Cc1ccco1)C(=O)Cn1cc(NC(=O)CCc2ccccc2OC)cn1
InChIInChI=1S/C23H24N4O4/c1-3-12-26(16-20-8-6-13-31-20)23(29)17-27-15-19(14-24-27)25-22(28)11-10-18-7-4-5-9-21(18)30-2/h1,4-9,13-15H,10-12,16-17H2,2H3,(H,25,28)
InChIKeySDIGEQLUPJLTOQ-UHFFFAOYSA-N
XLogP2.72
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide (CID 26325836) is N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide is C#CCN(Cc1ccco1)C(=O)Cn1cc(NC(=O)CCc2ccccc2OC)cn1.
What is the InChIKey of N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is SDIGEQLUPJLTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-12-26(16-20-8-6-13-31-20)23(29)17-27-15-19(14-24-27)25-22(28)11-10-18-7-4-5-9-21(18)30-2/h1,4-9,13-15H,10-12,16-17H2,2H3,(H,25,28).
What are the key properties of N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 420.47 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 26325836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).