1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide

C11H20N4O2 — CID 55241526

IUPAC1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCNC(C)C)c1C(N)=O
InChIInChI=1S/C11H20N4O2/c1-7(2)13-5-6-17-11-9(10(12)16)8(3)14-15(11)4/h7,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyRNNZLMDEVZOHCA-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.20
Rot. Bonds6

About 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide

1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide (PubChem CID 55241526) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide
PubChem CID55241526
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCNC(C)C)c1C(N)=O
InChIInChI=1S/C11H20N4O2/c1-7(2)13-5-6-17-11-9(10(12)16)8(3)14-15(11)4/h7,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyRNNZLMDEVZOHCA-UHFFFAOYSA-N
XLogP0.20
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-(2,2,2-trifluoroethoxy)-1H-pyrazole-4-carbaldehyde
CID 14998085
1,3-Dimethyl-5-(3,3,3-trifluoropropoxy)pyrazole-4-carbaldehyde
CID 82955498
3-(Difluoromethyl)-1-ethyl-5-(2,2,2-trifluoroethoxy)pyrazole-4-carbaldehyde
CID 155664173
5-(2,2-Difluoroethoxy)-3-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
CID 155664182
5-(2,2-Difluoroethoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 82007389
1,3-Dimethyl-5-(4,4,4-trifluorobutoxy)pyrazole-4-carbaldehyde
CID 82788457
5-Methoxy-3-methyl-1-propan-2-ylpyrazole-4-carbaldehyde
CID 23337903
1,3-Dimethyl-5-[(2-methylpropan-2-yl)oxy]pyrazole-4-carbaldehyde
CID 29003540
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 53998010
N-[(1-ethyl-2-pyrrolidinyl) methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 54397341
Ethyl 1,3-dimethyl-5-(2-methylidenebutoxy)pyrazole-4-carboxylate
CID 57985856
5-Methoxy-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 124253635

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide (CID 55241526) is 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide is Cc1nn(C)c(OCCNC(C)C)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide?
The InChIKey is RNNZLMDEVZOHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)13-5-6-17-11-9(10(12)16)8(3)14-15(11)4/h7,13H,5-6H2,1-4H3,(H2,12,16).
What are the key properties of 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide?
1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(propan-2-ylamino)ethoxy]pyrazole-4-carboxamide is sourced from PubChem (CID 55241526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).