1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide

C25H26N4O4 — CID 19398380

IUPAC1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C25H26N4O4/c1-3-13-26-25(31)23-21(15-29(4-2)28-23)27-24(30)22-12-11-20(33-22)16-32-19-10-9-17-7-5-6-8-18(17)14-19/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyAKLPPTFRTPKPCA-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.62
Rot. Bonds9

About 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide

1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide (PubChem CID 19398380) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
PubChem CID19398380
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C25H26N4O4/c1-3-13-26-25(31)23-21(15-29(4-2)28-23)27-24(30)22-12-11-20(33-22)16-32-19-10-9-17-7-5-6-8-18(17)14-19/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyAKLPPTFRTPKPCA-UHFFFAOYSA-N
XLogP4.62
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398338
4-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398411
1-ethyl-4-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398445
methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19450996
1-ethyl-N-(furan-2-ylmethyl)-4-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19454623
4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412473
methyl 1-ethyl-4-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19449114
propan-2-yl 1-ethyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19404466
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19402731
propan-2-yl 4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404351
1-ethyl-4-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19404728

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide (CID 19398380) is 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide?
The InChIKey is AKLPPTFRTPKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-3-13-26-25(31)23-21(15-29(4-2)28-23)27-24(30)22-12-11-20(33-22)16-32-19-10-9-17-7-5-6-8-18(17)14-19/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide?
1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19398380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).