(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide

C11H20N4O — CID 107146509

IUPAC(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C11H20N4O/c1-4-5-6-9(12)11(16)13-10-7(2)8(3)14-15-10/h9H,4-6,12H2,1-3H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyWWZRFIVDPZWALT-VIFPVBQESA-N
MW224.31 g/mol
LogP1.48
Rot. Bonds5

About (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide

(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide (PubChem CID 107146509) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
PubChem CID107146509
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C11H20N4O/c1-4-5-6-9(12)11(16)13-10-7(2)8(3)14-15-10/h9H,4-6,12H2,1-3H3,(H2,13,14,15,16)/t9-/m0/s1
InChIKeyWWZRFIVDPZWALT-VIFPVBQESA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide
CID 104618696
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methoxypentanamide
CID 104618869
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxypropanamide
CID 104618673
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
CID 104618844
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
2-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115624602
2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 112689375
3-[(2-amino-3-hydroxypropanoyl)amino]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 110480754
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide (CID 107146509) is (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide is CCCC[C@H](N)C(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide?
The InChIKey is WWZRFIVDPZWALT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-6-9(12)11(16)13-10-7(2)8(3)14-15-10/h9H,4-6,12H2,1-3H3,(H2,13,14,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide?
(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide has a molecular weight of 224.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide is sourced from PubChem (CID 107146509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).