N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide

C11H13N5O — CID 79529546

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
SMILESNc1[nH]ncc1CNC(=O)Cc1cccnc1
InChIInChI=1S/C11H13N5O/c12-11-9(7-15-16-11)6-14-10(17)4-8-2-1-3-13-5-8/h1-3,5,7H,4,6H2,(H,14,17)(H3,12,15,16)
InChIKeyNOHBPNLGKBOZFS-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.25
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide (PubChem CID 79529546) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
PubChem CID79529546
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
SMILESNc1[nH]ncc1CNC(=O)Cc1cccnc1
InChIInChI=1S/C11H13N5O/c12-11-9(7-15-16-11)6-14-10(17)4-8-2-1-3-13-5-8/h1-3,5,7H,4,6H2,(H,14,17)(H3,12,15,16)
InChIKeyNOHBPNLGKBOZFS-UHFFFAOYSA-N
XLogP0.25
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone
CID 104735973
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 79530146
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 154862718
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79531033
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
CID 79529688
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 79530279
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 79529850
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide (CID 79529546) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide is Nc1[nH]ncc1CNC(=O)Cc1cccnc1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
The InChIKey is NOHBPNLGKBOZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-11-9(7-15-16-11)6-14-10(17)4-8-2-1-3-13-5-8/h1-3,5,7H,4,6H2,(H,14,17)(H3,12,15,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide has a molecular weight of 231.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 79529546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).