N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide

C13H15N3O2 — CID 43417711

IUPACN-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCO)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O2/c17-8-4-7-14-13(18)12-9-11(15-16-12)10-5-2-1-3-6-10/h1-3,5-6,9,17H,4,7-8H2,(H,14,18)(H,15,16)
InChIKeyZQLVSTTVUFGDIQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.19
Rot. Bonds5

About N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 43417711) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID43417711
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCO)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O2/c17-8-4-7-14-13(18)12-9-11(15-16-12)10-5-2-1-3-6-10/h1-3,5-6,9,17H,4,7-8H2,(H,14,18)(H,15,16)
InChIKeyZQLVSTTVUFGDIQ-UHFFFAOYSA-N
XLogP1.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 43417711) is N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCCCO)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZQLVSTTVUFGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-8-4-7-14-13(18)12-9-11(15-16-12)10-5-2-1-3-6-10/h1-3,5-6,9,17H,4,7-8H2,(H,14,18)(H,15,16).
What are the key properties of N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 43417711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).