3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide

C14H17N3O3 — CID 71601259

IUPAC3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
SMILESCCCCOc1ccccc1-c1cc(C(=O)NO)[nH]n1
InChIInChI=1S/C14H17N3O3/c1-2-3-8-20-13-7-5-4-6-10(13)11-9-12(16-15-11)14(18)17-19/h4-7,9,19H,2-3,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNXSSZGNAZLBIBF-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.37
Rot. Bonds6

About 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide

3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide (PubChem CID 71601259) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
PubChem CID71601259
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
SMILESCCCCOc1ccccc1-c1cc(C(=O)NO)[nH]n1
InChIInChI=1S/C14H17N3O3/c1-2-3-8-20-13-7-5-4-6-10(13)11-9-12(16-15-11)14(18)17-19/h4-7,9,19H,2-3,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNXSSZGNAZLBIBF-UHFFFAOYSA-N
XLogP2.37
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 71822328
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(2-butoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135641959
3-(2-butoxyphenyl)-N-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-5-carboxamide
CID 71822324
3-(2-butoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6888513
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-butoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71822343
3-(2-butoxyphenyl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136906005
[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71822697
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6267995
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide (CID 71601259) is 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide is CCCCOc1ccccc1-c1cc(C(=O)NO)[nH]n1.
What is the InChIKey of 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide?
The InChIKey is NXSSZGNAZLBIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-3-8-20-13-7-5-4-6-10(13)11-9-12(16-15-11)14(18)17-19/h4-7,9,19H,2-3,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide?
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71601259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).