N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide

C15H15N3O2 — CID 63079979

IUPACN-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C#CCCO)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C15H15N3O2/c1-11-10-12(4-2-3-9-19)5-6-13(11)17-15(20)14-7-8-16-18-14/h5-8,10,19H,3,9H2,1H3,(H,16,18)(H,17,20)
InChIKeyFYANDWUFJQVVQE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.70
Rot. Bonds3

About N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide

N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 63079979) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide
PubChem CID63079979
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C#CCCO)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C15H15N3O2/c1-11-10-12(4-2-3-9-19)5-6-13(11)17-15(20)14-7-8-16-18-14/h5-8,10,19H,3,9H2,1H3,(H,16,18)(H,17,20)
InChIKeyFYANDWUFJQVVQE-UHFFFAOYSA-N
XLogP1.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyridazine-4-carboxamide
CID 104671804
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63080337
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]thiadiazole-4-carboxamide
CID 65216068
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63080492
1-cyclobutyl-3-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]urea
CID 116658735
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 60803537
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
CID 60802341
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 81288128
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methyloxolane-3-carboxamide
CID 114826565

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide (CID 63079979) is N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide is Cc1cc(C#CCCO)ccc1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FYANDWUFJQVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-10-12(4-2-3-9-19)5-6-13(11)17-15(20)14-7-8-16-18-14/h5-8,10,19H,3,9H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63079979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).