N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

C20H19N5O5 — CID 162647906

IUPACN-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn[nH]c1C(=O)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19N5O5/c1-30-16-5-3-2-4-14(16)19(27)23-15-11-22-24-17(15)20(28)21-10-12-6-8-13(9-7-12)18(26)25-29/h2-9,11,29H,10H2,1H3,(H,21,28)(H,22,24)(H,23,27)(H,25,26)
InChIKeyUFJRPDHNYZLSRH-UHFFFAOYSA-N
MW409.40 g/mol
LogP1.72
Rot. Bonds7

About N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 162647906) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID162647906
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn[nH]c1C(=O)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19N5O5/c1-30-16-5-3-2-4-14(16)19(27)23-15-11-22-24-17(15)20(28)21-10-12-6-8-13(9-7-12)18(26)25-29/h2-9,11,29H,10H2,1H3,(H,21,28)(H,22,24)(H,23,27)(H,25,26)
InChIKeyUFJRPDHNYZLSRH-UHFFFAOYSA-N
XLogP1.72
TPSA145.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 162656980
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
CID 118714297
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
N-(2-aminophenyl)-4-[(5-tert-butyl-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 67105958
methyl 4-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 146090075
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714288
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
N-benzyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 4930662
N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide
CID 168877285
5-N-benzyl-4-N-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736412

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 162647906) is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is COc1ccccc1C(=O)Nc1cn[nH]c1C(=O)NCc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is UFJRPDHNYZLSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5/c1-30-16-5-3-2-4-14(16)19(27)23-15-11-22-24-17(15)20(28)21-10-12-6-8-13(9-7-12)18(26)25-29/h2-9,11,29H,10H2,1H3,(H,21,28)(H,22,24)(H,23,27)(H,25,26).
What are the key properties of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162647906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).