N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

C12H22N4O — CID 63225554

IUPACN-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C(C)CCN
InChIInChI=1S/C12H22N4O/c1-8(6-7-13)15(4)12(17)11-9(2)14-16(5)10(11)3/h8H,6-7,13H2,1-5H3
InChIKeyYSMNVOXHNHXFMT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.85
Rot. Bonds4

About N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 63225554) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID63225554
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C(C)CCN
InChIInChI=1S/C12H22N4O/c1-8(6-7-13)15(4)12(17)11-9(2)14-16(5)10(11)3/h8H,6-7,13H2,1-5H3
InChIKeyYSMNVOXHNHXFMT-UHFFFAOYSA-N
XLogP0.85
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate
CID 124872087
N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 19477976
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 76928402
N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 107206591
ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 61021700
ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 55003284
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106357153
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 105091756
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134003958

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 63225554) is N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)C(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is YSMNVOXHNHXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(6-7-13)15(4)12(17)11-9(2)14-16(5)10(11)3/h8H,6-7,13H2,1-5H3.
What are the key properties of N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 63225554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).