5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide

C11H20N4O — CID 115330445

IUPAC5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide
SMILESCCCC(C)N(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H20N4O/c1-5-6-8(2)14(3)11(16)9-7-13-15(4)10(9)12/h7-8H,5-6,12H2,1-4H3
InChIKeyBFOXQAQOCDLGTB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.26
Rot. Bonds4

About 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide

5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide (PubChem CID 115330445) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide
PubChem CID115330445
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide
SMILESCCCC(C)N(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H20N4O/c1-5-6-8(2)14(3)11(16)9-7-13-15(4)10(9)12/h7-8H,5-6,12H2,1-4H3
InChIKeyBFOXQAQOCDLGTB-UHFFFAOYSA-N
XLogP1.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
6-[(1R)-1-(azetidin-1-yl)ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236306
1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135400935
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
2-decyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869414
2-nonyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135869425
N-cyclohexyl-N-methyl-2-[methyl-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]amino]acetamide
CID 136051720
5-amino-1-ethyl-1H-pyrazole-4-carboxamide
CID 15040077

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide (CID 115330445) is 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide is CCCC(C)N(C)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide?
The InChIKey is BFOXQAQOCDLGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-6-8(2)14(3)11(16)9-7-13-15(4)10(9)12/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide?
5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 115330445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).