3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide

C12H21N3O3 — CID 103894190

IUPAC3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)CC(O)COC
InChIInChI=1S/C12H21N3O3/c1-5-11-10(7-15(3)13-11)12(17)14(2)6-9(16)8-18-4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyRCCROFOTIDZLSS-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.06
Rot. Bonds6

About 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide

3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 103894190) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID103894190
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)CC(O)COC
InChIInChI=1S/C12H21N3O3/c1-5-11-10(7-15(3)13-11)12(17)14(2)6-9(16)8-18-4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyRCCROFOTIDZLSS-UHFFFAOYSA-N
XLogP0.06
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325
N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102802456
4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
CID 65358116
N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 54993258
N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389
N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809971
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 54993522
N-(2-hydroxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103747215
3-ethyl-N-(1H-imidazol-2-ylmethyl)-N,1-dimethylpyrazole-4-carboxamide
CID 113347479
N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 102809914

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide (CID 103894190) is 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(C)CC(O)COC.
What is the InChIKey of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is RCCROFOTIDZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-5-11-10(7-15(3)13-11)12(17)14(2)6-9(16)8-18-4/h7,9,16H,5-6,8H2,1-4H3.
What are the key properties of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide?
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103894190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).