5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide

C16H20ClN3O2 — CID 30544747

IUPAC5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-11(2)22-9-3-8-18-16(21)14-10-19-20-15(14)12-4-6-13(17)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZXQVZYKICYEVFX-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.28
Rot. Bonds7

About 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide (PubChem CID 30544747) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
PubChem CID30544747
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-11(2)22-9-3-8-18-16(21)14-10-19-20-15(14)12-4-6-13(17)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZXQVZYKICYEVFX-UHFFFAOYSA-N
XLogP3.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
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 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide (CID 30544747) is 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide is CC(C)OCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZXQVZYKICYEVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11(2)22-9-3-8-18-16(21)14-10-19-20-15(14)12-4-6-13(17)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 30544747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).