4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide

C11H20N4O2 — CID 81053725

IUPAC4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CCOC(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-7(2)17-6-5-15(4)11(16)10-9(12)8(3)13-14-10/h7H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyGTHSWPIWZJBQPZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.80
Rot. Bonds5

About 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide

4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide (PubChem CID 81053725) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
PubChem CID81053725
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CCOC(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-7(2)17-6-5-15(4)11(16)10-9(12)8(3)13-14-10/h7H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyGTHSWPIWZJBQPZ-UHFFFAOYSA-N
XLogP0.80
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-amino-N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 82949294
5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 81063691
4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082996
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 63878192
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62082818
4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 63207158
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 114946954
4-amino-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034476
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 62082662

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide (CID 81053725) is 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)CCOC(C)C)c1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is GTHSWPIWZJBQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)17-6-5-15(4)11(16)10-9(12)8(3)13-14-10/h7H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide?
4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 81053725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).