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

C11H20N4O2 — CID 104550920

IUPAC4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)C(C)CO
InChIInChI=1S/C11H20N4O2/c1-5-15-10(9(12)8(3)13-15)11(17)14(4)7(2)6-16/h7,16H,5-6,12H2,1-4H3
InChIKeyGHFPIZMNUUATSW-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.25
Rot. Bonds4

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

4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide (PubChem CID 104550920) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide
PubChem CID104550920
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)C(C)CO
InChIInChI=1S/C11H20N4O2/c1-5-15-10(9(12)8(3)13-15)11(17)14(4)7(2)6-16/h7,16H,5-6,12H2,1-4H3
InChIKeyGHFPIZMNUUATSW-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66123112
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079
methyl 3-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66123492
4-amino-1-ethyl-3-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 66123658
4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124373
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 82944743
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
CID 66125449
4-amino-1-ethyl-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 66123490
4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125657
4-amino-1-ethyl-N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrazole-5-carboxamide
CID 66122905
4-amino-1-ethyl-N,3-dimethyl-N-pyridin-2-ylpyrazole-5-carboxamide
CID 66123666
4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 113466215

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide (CID 104550920) is 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(C)C(C)CO.
What is the InChIKey of 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide?
The InChIKey is GHFPIZMNUUATSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-15-10(9(12)8(3)13-15)11(17)14(4)7(2)6-16/h7,16H,5-6,12H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 104550920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).