N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide

C12H20N4O3 — CID 119060839

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccnn1CCO)C(N)=O
InChIInChI=1S/C12H20N4O3/c1-8(2)7-9(11(13)18)15-12(19)10-3-4-14-16(10)5-6-17/h3-4,8-9,17H,5-7H2,1-2H3,(H2,13,18)(H,15,19)/t9-/m0/s1
InChIKeyGINMPRQMIXDSQZ-VIFPVBQESA-N
MW268.32 g/mol
LogP-0.49
Rot. Bonds7

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 119060839) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID119060839
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccnn1CCO)C(N)=O
InChIInChI=1S/C12H20N4O3/c1-8(2)7-9(11(13)18)15-12(19)10-3-4-14-16(10)5-6-17/h3-4,8-9,17H,5-7H2,1-2H3,(H2,13,18)(H,15,19)/t9-/m0/s1
InChIKeyGINMPRQMIXDSQZ-VIFPVBQESA-N
XLogP-0.49
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 119060839) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide is CC(C)C[C@H](NC(=O)c1ccnn1CCO)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is GINMPRQMIXDSQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)7-9(11(13)18)15-12(19)10-3-4-14-16(10)5-6-17/h3-4,8-9,17H,5-7H2,1-2H3,(H2,13,18)(H,15,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119060839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).