N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C24H23ClN4O3S — CID 121365035

IUPACN-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1sccc1Cl
InChIInChI=1S/C24H23ClN4O3S/c1-32-16-21-19(24(31)26-12-22-20(25)9-11-33-22)15-29(27-21)14-18-7-5-17(6-8-18)13-28-10-3-2-4-23(28)30/h2-11,15H,12-14,16H2,1H3,(H,26,31)
InChIKeyHAOFRUOYORMGKX-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.93
Rot. Bonds9

About N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 121365035) has the molecular formula C24H23ClN4O3S and a molecular weight of 482.99 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID121365035
Molecular FormulaC24H23ClN4O3S
Molecular Weight482.99 g/mol
Exact Mass482.12
IUPAC NameN-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1sccc1Cl
InChIInChI=1S/C24H23ClN4O3S/c1-32-16-21-19(24(31)26-12-22-20(25)9-11-33-22)15-29(27-21)14-18-7-5-17(6-8-18)13-28-10-3-2-4-23(28)30/h2-11,15H,12-14,16H2,1H3,(H,26,31)
InChIKeyHAOFRUOYORMGKX-UHFFFAOYSA-N
XLogP3.93
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 121365035) is N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is HAOFRUOYORMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S/c1-32-16-21-19(24(31)26-12-22-20(25)9-11-33-22)15-29(27-21)14-18-7-5-17(6-8-18)13-28-10-3-2-4-23(28)30/h2-11,15H,12-14,16H2,1H3,(H,26,31).
What are the key properties of N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 482.99 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121365035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).