(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide

C12H15N5O — CID 46204756

IUPAC(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cn(C)nc1-c1ccccn1
InChIInChI=1S/C12H15N5O/c1-8(13)12(18)15-10-7-17(2)16-11(10)9-5-3-4-6-14-9/h3-8H,13H2,1-2H3,(H,15,18)/t8-/m0/s1
InChIKeyBFMQGPAOIVIBTF-QMMMGPOBSA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds3

About (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide

(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide (PubChem CID 46204756) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide
PubChem CID46204756
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1cn(C)nc1-c1ccccn1
InChIInChI=1S/C12H15N5O/c1-8(13)12(18)15-10-7-17(2)16-11(10)9-5-3-4-6-14-9/h3-8H,13H2,1-2H3,(H,15,18)/t8-/m0/s1
InChIKeyBFMQGPAOIVIBTF-QMMMGPOBSA-N
XLogP0.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide (CID 46204756) is (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide is C[C@H](N)C(=O)Nc1cn(C)nc1-c1ccccn1.
What is the InChIKey of (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide?
The InChIKey is BFMQGPAOIVIBTF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(13)12(18)15-10-7-17(2)16-11(10)9-5-3-4-6-14-9/h3-8H,13H2,1-2H3,(H,15,18)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide?
(2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide has a molecular weight of 245.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 46204756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).