2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

C14H17N3O3 — CID 62039236

IUPAC2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H17N3O3/c1-9-10(8-16-17-9)3-2-6-15-14(20)12-5-4-11(18)7-13(12)19/h4-5,7-8,18-19H,2-3,6H2,1H3,(H,15,20)(H,16,17)
InChIKeyKGILPDXGXXZGHS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.49
Rot. Bonds5

About 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 62039236) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID62039236
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H17N3O3/c1-9-10(8-16-17-9)3-2-6-15-14(20)12-5-4-11(18)7-13(12)19/h4-5,7-8,18-19H,2-3,6H2,1H3,(H,15,20)(H,16,17)
InChIKeyKGILPDXGXXZGHS-UHFFFAOYSA-N
XLogP1.49
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 114922479
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038999
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 62039236) is 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is Cc1[nH]ncc1CCCNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is KGILPDXGXXZGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-10(8-16-17-9)3-2-6-15-14(20)12-5-4-11(18)7-13(12)19/h4-5,7-8,18-19H,2-3,6H2,1H3,(H,15,20)(H,16,17).
What are the key properties of 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 62039236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).