N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

C15H17N5S — CID 49465975

IUPACN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1cc(CNCCc2nccs2)c(-c2cccnc2)n1
InChIInChI=1S/C15H17N5S/c1-20-11-13(10-17-6-4-14-18-7-8-21-14)15(19-20)12-3-2-5-16-9-12/h2-3,5,7-9,11,17H,4,6,10H2,1H3
InChIKeyBPRNQONLZZBBIT-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.27
Rot. Bonds6

About N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 49465975) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID49465975
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1cc(CNCCc2nccs2)c(-c2cccnc2)n1
InChIInChI=1S/C15H17N5S/c1-20-11-13(10-17-6-4-14-18-7-8-21-14)15(19-20)12-3-2-5-16-9-12/h2-3,5,7-9,11,17H,4,6,10H2,1H3
InChIKeyBPRNQONLZZBBIT-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 49465975) is N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is Cn1cc(CNCCc2nccs2)c(-c2cccnc2)n1.
What is the InChIKey of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is BPRNQONLZZBBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-20-11-13(10-17-6-4-14-18-7-8-21-14)15(19-20)12-3-2-5-16-9-12/h2-3,5,7-9,11,17H,4,6,10H2,1H3.
What are the key properties of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 299.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 49465975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).