N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide

C12H22N4O — CID 114282144

IUPACN-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1c(N)cnn1C)C(C)C
InChIInChI=1S/C12H22N4O/c1-7(2)10(8(3)4)12(17)15-11-9(13)6-14-16(11)5/h6-8,10H,13H2,1-5H3,(H,15,17)
InChIKeyTXYQEEVZTPENAM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds4

About N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide

N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide (PubChem CID 114282144) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide
PubChem CID114282144
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1c(N)cnn1C)C(C)C
InChIInChI=1S/C12H22N4O/c1-7(2)10(8(3)4)12(17)15-11-9(13)6-14-16(11)5/h6-8,10H,13H2,1-5H3,(H,15,17)
InChIKeyTXYQEEVZTPENAM-UHFFFAOYSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-N,1-dimethylpyrazole-5-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide (CID 114282144) is N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)Nc1c(N)cnn1C)C(C)C.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is TXYQEEVZTPENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)10(8(3)4)12(17)15-11-9(13)6-14-16(11)5/h6-8,10H,13H2,1-5H3,(H,15,17).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide?
N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 114282144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).