(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide

C11H20N4O2 — CID 114255933

IUPAC(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc(OC)n(C)n1
InChIInChI=1S/C11H20N4O2/c1-5-7(2)10(12)11(16)13-8-6-9(17-4)15(3)14-8/h6-7,10H,5,12H2,1-4H3,(H,13,14,16)/t7?,10-/m0/s1
InChIKeyPHFHGOBVPRNEDM-MHPPCMCBSA-N
MW240.31 g/mol
LogP0.74
Rot. Bonds5

About (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide

(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide (PubChem CID 114255933) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
PubChem CID114255933
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc(OC)n(C)n1
InChIInChI=1S/C11H20N4O2/c1-5-7(2)10(12)11(16)13-8-6-9(17-4)15(3)14-8/h6-7,10H,5,12H2,1-4H3,(H,13,14,16)/t7?,10-/m0/s1
InChIKeyPHFHGOBVPRNEDM-MHPPCMCBSA-N
XLogP0.74
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
CID 130497501
2-(butan-2-ylamino)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 114255909
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
(2S)-2-[(5-methoxy-1-methylpyrazol-3-yl)carbamoylamino]pentanoic acid
CID 114256177
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
4-amino-N-(5-methoxy-1-methylpyrazol-3-yl)benzamide
CID 114255282
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
3-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 114255287
2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
CID 119797909
N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide
CID 162759817
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide (CID 114255933) is (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1cc(OC)n(C)n1.
What is the InChIKey of (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide?
The InChIKey is PHFHGOBVPRNEDM-MHPPCMCBSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-7(2)10(12)11(16)13-8-6-9(17-4)15(3)14-8/h6-7,10H,5,12H2,1-4H3,(H,13,14,16)/t7?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide?
(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide has a molecular weight of 240.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide is sourced from PubChem (CID 114255933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).