4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide

C11H20N4O — CID 64570786

IUPAC4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)C(C)C)c1N
InChIInChI=1S/C11H20N4O/c1-6(2)7(3)5-13-11(16)10-9(12)8(4)14-15-10/h6-7H,5,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyDDVFBBPTXIXFAF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 64570786) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID64570786
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)C(C)C)c1N
InChIInChI=1S/C11H20N4O/c1-6(2)7(3)5-13-11(16)10-9(12)8(4)14-15-10/h6-7H,5,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyDDVFBBPTXIXFAF-UHFFFAOYSA-N
XLogP1.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
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CID 62083375
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62082646
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
3-(2,3-dimethylbutylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65395941
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 64570786) is 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC(C)C(C)C)c1N.
What is the InChIKey of 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is DDVFBBPTXIXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-6(2)7(3)5-13-11(16)10-9(12)8(4)14-15-10/h6-7H,5,12H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 64570786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).