1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide

C25H23ClN4O4 — CID 46671540

IUPAC1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN4O4/c1-16(2)23-21(14-27-30(23)18-10-8-17(26)9-11-18)24(31)28-29-25(32)22-13-12-20(34-22)15-33-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyBAAMRKUHAQCKDN-UHFFFAOYSA-N
MW478.94 g/mol
LogP4.90
Rot. Bonds7

About 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide

1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide (PubChem CID 46671540) has the molecular formula C25H23ClN4O4 and a molecular weight of 478.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide
PubChem CID46671540
Molecular FormulaC25H23ClN4O4
Molecular Weight478.94 g/mol
Exact Mass478.14
IUPAC Name1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN4O4/c1-16(2)23-21(14-27-30(23)18-10-8-17(26)9-11-18)24(31)28-29-25(32)22-13-12-20(34-22)15-33-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyBAAMRKUHAQCKDN-UHFFFAOYSA-N
XLogP4.90
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 78872608
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893043
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 46656994
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
CID 46671387
ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19413508
ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19456865
1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46579031

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide (CID 46671540) is 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide?
The InChIKey is BAAMRKUHAQCKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4/c1-16(2)23-21(14-27-30(23)18-10-8-17(26)9-11-18)24(31)28-29-25(32)22-13-12-20(34-22)15-33-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide?
1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide has a molecular weight of 478.94 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46671540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).