4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide

C11H20N4O2 — CID 66119069

IUPAC4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC(C)O)c1N
InChIInChI=1S/C11H20N4O2/c1-5-8-9(12)10(15(4)13-8)11(17)14(3)6-7(2)16/h7,16H,5-6,12H2,1-4H3
InChIKeyXHWUCRJIAUSJAA-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.02
Rot. Bonds4

About 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide

4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66119069) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66119069
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC(C)O)c1N
InChIInChI=1S/C11H20N4O2/c1-5-8-9(12)10(15(4)13-8)11(17)14(3)6-7(2)16/h7,16H,5-6,12H2,1-4H3
InChIKeyXHWUCRJIAUSJAA-UHFFFAOYSA-N
XLogP0.02
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494
4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66122803
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66116761
4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66123561
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
CID 66122221
4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 66125119
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66125318
4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
CID 66116977
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125502
4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
CID 66119492

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide (CID 66119069) is 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CC(C)O)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is XHWUCRJIAUSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-8-9(12)10(15(4)13-8)11(17)14(3)6-7(2)16/h7,16H,5-6,12H2,1-4H3.
What are the key properties of 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66119069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).