N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide

C13H23N3O2 — CID 111596654

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CC)CC(C)(C)O)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-7-10-8-11(15-14-10)12(17)16(6-2)9-13(3,4)18/h8,18H,5-7,9H2,1-4H3,(H,14,15)
InChIKeyLPRIRNSLQDZCGX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.60
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 111596654) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID111596654
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CC)CC(C)(C)O)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-7-10-8-11(15-14-10)12(17)16(6-2)9-13(3,4)18/h8,18H,5-7,9H2,1-4H3,(H,14,15)
InChIKeyLPRIRNSLQDZCGX-UHFFFAOYSA-N
XLogP1.60
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 111596654) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(CC)CC(C)(C)O)n[nH]1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is LPRIRNSLQDZCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-7-10-8-11(15-14-10)12(17)16(6-2)9-13(3,4)18/h8,18H,5-7,9H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111596654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).