(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C10H18N4O — CID 79236660

IUPAC(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CNC(=O)[C@H](C)N
InChIInChI=1S/C10H18N4O/c1-6(11)10(15)12-5-9-7(2)13-14(4)8(9)3/h6H,5,11H2,1-4H3,(H,12,15)/t6-/m0/s1
InChIKeyTWLGDPLAXXQRTF-LURJTMIESA-N
MW210.28 g/mol
LogP0.00
Rot. Bonds3

About (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 79236660) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID79236660
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CNC(=O)[C@H](C)N
InChIInChI=1S/C10H18N4O/c1-6(11)10(15)12-5-9-7(2)13-14(4)8(9)3/h6H,5,11H2,1-4H3,(H,12,15)/t6-/m0/s1
InChIKeyTWLGDPLAXXQRTF-LURJTMIESA-N
XLogP0.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110446396
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]propanoate
CID 20964095
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 79242122
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251
2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 119888547
(2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 107828292
N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 78990459
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281
3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 120501674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 79236660) is (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is TWLGDPLAXXQRTF-LURJTMIESA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(11)10(15)12-5-9-7(2)13-14(4)8(9)3/h6H,5,11H2,1-4H3,(H,12,15)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 79236660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).