N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide

C8H13N3O3 — CID 63078702

IUPACN-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide
SMILESCOC(CNC(=O)c1ccn[nH]1)OC
InChIInChI=1S/C8H13N3O3/c1-13-7(14-2)5-9-8(12)6-3-4-10-11-6/h3-4,7H,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyQFWBRDHXBKWUJX-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.24
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide

N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63078702) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide
PubChem CID63078702
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide
SMILESCOC(CNC(=O)c1ccn[nH]1)OC
InChIInChI=1S/C8H13N3O3/c1-13-7(14-2)5-9-8(12)6-3-4-10-11-6/h3-4,7H,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyQFWBRDHXBKWUJX-UHFFFAOYSA-N
XLogP-0.24
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide (CID 63078702) is N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide is COC(CNC(=O)c1ccn[nH]1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QFWBRDHXBKWUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-13-7(14-2)5-9-8(12)6-3-4-10-11-6/h3-4,7H,5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide?
N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63078702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).