4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide

C11H20N4O2 — CID 79384969

IUPAC4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C11H20N4O2/c1-5-15(6-11(3,4)17)10(16)9-8(12)7(2)13-14-9/h17H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyKGHHVBIFTFAPSI-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.53
Rot. Bonds4

About 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 79384969) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID79384969
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C11H20N4O2/c1-5-15(6-11(3,4)17)10(16)9-8(12)7(2)13-14-9/h17H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyKGHHVBIFTFAPSI-UHFFFAOYSA-N
XLogP0.53
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-(diethylamino)propyl]-N-ethyl-5-methyl-1H-pyrazole-3-carboxamide
CID 102990915
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080719
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 79376768
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 62082662
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66170407
4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 79384969) is 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is KGHHVBIFTFAPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-15(6-11(3,4)17)10(16)9-8(12)7(2)13-14-9/h17H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79384969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).