N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide

C12H19N3O2 — CID 103339974

IUPACN-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCN(CCOC)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H19N3O2/c1-5-6-15(7-8-17-4)12(16)11-9(2)13-14-10(11)3/h5H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyRBVNXQYECRSCGA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds6

About N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide

N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide (PubChem CID 103339974) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
PubChem CID103339974
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCN(CCOC)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H19N3O2/c1-5-6-15(7-8-17-4)12(16)11-9(2)13-14-10(11)3/h5H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyRBVNXQYECRSCGA-UHFFFAOYSA-N
XLogP1.30
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide (CID 103339974) is N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide is C=CCN(CCOC)C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The InChIKey is RBVNXQYECRSCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-6-15(7-8-17-4)12(16)11-9(2)13-14-10(11)3/h5H,1,6-8H2,2-4H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103339974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).