3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide

C12H21N3O2 — CID 113499792

IUPAC3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CCC(C)O)n(C)n1
InChIInChI=1S/C12H21N3O2/c1-5-10-8-11(15(4)13-10)12(17)14(3)7-6-9(2)16/h8-9,16H,5-7H2,1-4H3
InChIKeyMLPBYKWPEJMCFS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.83
Rot. Bonds5

About 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide

3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 113499792) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
PubChem CID113499792
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CCC(C)O)n(C)n1
InChIInChI=1S/C12H21N3O2/c1-5-10-8-11(15(4)13-10)12(17)14(3)7-6-9(2)16/h8-9,16H,5-7H2,1-4H3
InChIKeyMLPBYKWPEJMCFS-UHFFFAOYSA-N
XLogP0.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 77113275
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
N,1-dimethyl-3-(2-methylpropyl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazole-5-carboxamide
CID 97113319
3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide
CID 66121900
N-(2-bromoethyl)-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 80661046
N-(2-bromoethyl)-3-ethyl-1-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 80670629
N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121097
methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 66120166
N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121882

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide (CID 113499792) is 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)CCC(C)O)n(C)n1.
What is the InChIKey of 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is MLPBYKWPEJMCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10-8-11(15(4)13-10)12(17)14(3)7-6-9(2)16/h8-9,16H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide?
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 113499792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).