N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide

C12H21N3O3 — CID 166457088

IUPACN-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide
SMILESO=C(NCCO)c1cnn(CCCCCCO)c1
InChIInChI=1S/C12H21N3O3/c16-7-4-2-1-3-6-15-10-11(9-14-15)12(18)13-5-8-17/h9-10,16-17H,1-8H2,(H,13,18)
InChIKeyFIYPELCZNURWNQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.16
Rot. Bonds9

About N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide

N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide (PubChem CID 166457088) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide
PubChem CID166457088
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide
SMILESO=C(NCCO)c1cnn(CCCCCCO)c1
InChIInChI=1S/C12H21N3O3/c16-7-4-2-1-3-6-15-10-11(9-14-15)12(18)13-5-8-17/h9-10,16-17H,1-8H2,(H,13,18)
InChIKeyFIYPELCZNURWNQ-UHFFFAOYSA-N
XLogP0.16
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide (CID 166457088) is N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide is O=C(NCCO)c1cnn(CCCCCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide?
The InChIKey is FIYPELCZNURWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-7-4-2-1-3-6-15-10-11(9-14-15)12(18)13-5-8-17/h9-10,16-17H,1-8H2,(H,13,18).
What are the key properties of N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide?
N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.16, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(6-hydroxyhexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166457088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).