(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide

C7H12N4O — CID 78971987

IUPAC(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C7H12N4O/c1-5(8)7(12)9-6-3-4-11(2)10-6/h3-5H,8H2,1-2H3,(H,9,10,12)/t5-/m1/s1
InChIKeyHUEOEPAHDFGWLB-RXMQYKEDSA-N
MW168.20 g/mol
LogP-0.29
Rot. Bonds2

About (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide

(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 78971987) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID78971987
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C7H12N4O/c1-5(8)7(12)9-6-3-4-11(2)10-6/h3-5H,8H2,1-2H3,(H,9,10,12)/t5-/m1/s1
InChIKeyHUEOEPAHDFGWLB-RXMQYKEDSA-N
XLogP-0.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide
CID 93313980
(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
CID 66174339
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
(2R)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(phenylcarbamoylamino)butanamide
CID 95322287
N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide (CID 78971987) is (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide is C[C@@H](N)C(=O)Nc1ccn(C)n1.
What is the InChIKey of (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is HUEOEPAHDFGWLB-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(8)7(12)9-6-3-4-11(2)10-6/h3-5H,8H2,1-2H3,(H,9,10,12)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide?
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 78971987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).