N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine

C17H18N4 — CID 107330507

IUPACN-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-2-19-17(14-7-6-11-18-13-14)16-10-12-20-21(16)15-8-4-3-5-9-15/h3-13,17,19H,2H2,1H3
InChIKeyLRRDMXNQZWEJEV-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.97
Rot. Bonds5

About N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine

N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 107330507) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID107330507
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-2-19-17(14-7-6-11-18-13-14)16-10-12-20-21(16)15-8-4-3-5-9-15/h3-13,17,19H,2H2,1H3
InChIKeyLRRDMXNQZWEJEV-UHFFFAOYSA-N
XLogP2.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
1-(3-chloro-4-pyridinyl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107332001
N-[(1-methylindazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 103126252
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 107330584
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine (CID 107330507) is N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1ccnn1-c1ccccc1.
What is the InChIKey of N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is LRRDMXNQZWEJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-19-17(14-7-6-11-18-13-14)16-10-12-20-21(16)15-8-4-3-5-9-15/h3-13,17,19H,2H2,1H3.
What are the key properties of N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 107330507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).