N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide

C27H25ClN4O4 — CID 154054623

IUPACN-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccco1
InChIInChI=1S/C27H25ClN4O4/c28-21-9-4-3-8-18(21)16-29-27(35)32-23(17-6-1-2-7-17)15-22(31-32)20-14-19(11-12-24(20)33)30-26(34)25-10-5-13-36-25/h3-5,8-15,17,33H,1-2,6-7,16H2,(H,29,35)(H,30,34)
InChIKeyIEAHMDCJJOFBLS-UHFFFAOYSA-N
MW504.97 g/mol
LogP6.17
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide

N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide (PubChem CID 154054623) has the molecular formula C27H25ClN4O4 and a molecular weight of 504.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
PubChem CID154054623
Molecular FormulaC27H25ClN4O4
Molecular Weight504.97 g/mol
Exact Mass504.16
IUPAC NameN-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccco1
InChIInChI=1S/C27H25ClN4O4/c28-21-9-4-3-8-18(21)16-29-27(35)32-23(17-6-1-2-7-17)15-22(31-32)20-14-19(11-12-24(20)33)30-26(34)25-10-5-13-36-25/h3-5,8-15,17,33H,1-2,6-7,16H2,(H,29,35)(H,30,34)
InChIKeyIEAHMDCJJOFBLS-UHFFFAOYSA-N
XLogP6.17
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055663
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154054604
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054273
5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055654
5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055634
2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055358
N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054301
N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054277

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide (CID 154054623) is N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccco1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
The InChIKey is IEAHMDCJJOFBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O4/c28-21-9-4-3-8-18(21)16-29-27(35)32-23(17-6-1-2-7-17)15-22(31-32)20-14-19(11-12-24(20)33)30-26(34)25-10-5-13-36-25/h3-5,8-15,17,33H,1-2,6-7,16H2,(H,29,35)(H,30,34).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide?
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide has a molecular weight of 504.97 g/mol, XLogP of 6.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).