3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

C11H19N3O3 — CID 66122498

IUPAC3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCO)CCO)n(C)n1
InChIInChI=1S/C11H19N3O3/c1-3-9-8-10(13(2)12-9)11(17)14(4-6-15)5-7-16/h8,15-16H,3-7H2,1-2H3
InChIKeyXMQTUNBESZCWOV-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.59
Rot. Bonds6

About 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 66122498) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
PubChem CID66122498
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCO)CCO)n(C)n1
InChIInChI=1S/C11H19N3O3/c1-3-9-8-10(13(2)12-9)11(17)14(4-6-15)5-7-16/h8,15-16H,3-7H2,1-2H3
InChIKeyXMQTUNBESZCWOV-UHFFFAOYSA-N
XLogP-0.59
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
N-(2-bromoethyl)-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 80661046
N-butyl-N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119787
N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059239
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122074
ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate
CID 66122513
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(3-amino-3-hydroxyiminopropyl)-3-ethyl-N-(2-methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 77113122
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (CID 66122498) is 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)N(CCO)CCO)n(C)n1.
What is the InChIKey of 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XMQTUNBESZCWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-9-8-10(13(2)12-9)11(17)14(4-6-15)5-7-16/h8,15-16H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66122498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).