N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide

C24H20N4O3 — CID 19450985

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1C
InChIInChI=1S/C24H20N4O3/c1-16-8-9-20(12-17(16)2)30-15-21-10-11-22(31-21)24(29)27-23-18(13-25)14-26-28(23)19-6-4-3-5-7-19/h3-12,14H,15H2,1-2H3,(H,27,29)
InChIKeyCCLSJVRPWUSIQC-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.79
Rot. Bonds6

About N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide

N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19450985) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19450985
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1C
InChIInChI=1S/C24H20N4O3/c1-16-8-9-20(12-17(16)2)30-15-21-10-11-22(31-21)24(29)27-23-18(13-25)14-26-28(23)19-6-4-3-5-7-19/h3-12,14H,15H2,1-2H3,(H,27,29)
InChIKeyCCLSJVRPWUSIQC-UHFFFAOYSA-N
XLogP4.79
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452784
5-[(4-tert-butylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19452545
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19450652
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19454931
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19465733
ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19413508
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450787
ethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19467524
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450922
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19448690
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19465268

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19450985) is N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccc3)o2)cc1C.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is CCLSJVRPWUSIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16-8-9-20(12-17(16)2)30-15-21-10-11-22(31-21)24(29)27-23-18(13-25)14-26-28(23)19-6-4-3-5-7-19/h3-12,14H,15H2,1-2H3,(H,27,29).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19450985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).