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

C11H19N3O2 — CID 78855350

IUPACN-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CC)CCO)n[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-5-9-8-10(13-12-9)11(16)14(4-2)6-7-15/h8,15H,3-7H2,1-2H3,(H,12,13)
InChIKeyWXFOVFLHTGKZBE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.82
Rot. Bonds6

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

N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 78855350) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID78855350
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(CC)CCO)n[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-5-9-8-10(13-12-9)11(16)14(4-2)6-7-15/h8,15H,3-7H2,1-2H3,(H,12,13)
InChIKeyWXFOVFLHTGKZBE-UHFFFAOYSA-N
XLogP0.82
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 111596654
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86840228
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 56865921
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
N-(cyclobutylmethyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 126808703
N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 109468168
N-(1,3-benzodioxol-5-ylmethyl)-5-propyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 46990396
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 78855350) is N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(CC)CCO)n[nH]1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is WXFOVFLHTGKZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-9-8-10(13-12-9)11(16)14(4-2)6-7-15/h8,15H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.82, 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-hydroxyethyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78855350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).