ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate

C22H24N4O4 — CID 19414065

IUPACethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C22H24N4O4/c1-2-29-22(28)18-14-23-26(16-8-4-3-5-9-16)20(18)24-21(27)19-11-10-17(30-19)15-25-12-6-7-13-25/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3,(H,24,27)
InChIKeySZUPUSJGIGKLIR-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.49
Rot. Bonds7

About ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate

ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate (PubChem CID 19414065) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
PubChem CID19414065
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Nameethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C22H24N4O4/c1-2-29-22(28)18-14-23-26(16-8-4-3-5-9-16)20(18)24-21(27)19-11-10-17(30-19)15-25-12-6-7-13-25/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3,(H,24,27)
InChIKeySZUPUSJGIGKLIR-UHFFFAOYSA-N
XLogP3.49
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19413508
ethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19467524
ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19456865
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 5086610
ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 55437084
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004
ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19416130
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate (CID 19414065) is ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(CN2CCCC2)o1.
What is the InChIKey of ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate?
The InChIKey is SZUPUSJGIGKLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-2-29-22(28)18-14-23-26(16-8-4-3-5-9-16)20(18)24-21(27)19-11-10-17(30-19)15-25-12-6-7-13-25/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3,(H,24,27).
What are the key properties of ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate?
ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate is sourced from PubChem (CID 19414065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).