N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine

C12H16N4 — CID 78921214

IUPACN-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCn1ccc(CNCCc2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-16-8-5-12(15-16)10-14-7-4-11-3-2-6-13-9-11/h2-3,5-6,8-9,14H,4,7,10H2,1H3
InChIKeyYLLVYOBSMWCOAE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.15
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine

N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 78921214) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID78921214
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCn1ccc(CNCCc2cccnc2)n1
InChIInChI=1S/C12H16N4/c1-16-8-5-12(15-16)10-14-7-4-11-3-2-6-13-9-11/h2-3,5-6,8-9,14H,4,7,10H2,1H3
InChIKeyYLLVYOBSMWCOAE-UHFFFAOYSA-N
XLogP1.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 60912731
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 82869029
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
2-pyridin-3-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 60914777
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-(isoquinolin-5-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626991
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine (CID 78921214) is N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine is Cn1ccc(CNCCc2cccnc2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is YLLVYOBSMWCOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-8-5-12(15-16)10-14-7-4-11-3-2-6-13-9-11/h2-3,5-6,8-9,14H,4,7,10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 78921214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).