N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine

C15H16ClN5 — CID 61166542

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
SMILESCn1c(Cl)cnc1CNCc1ccccc1-n1cccn1
InChIInChI=1S/C15H16ClN5/c1-20-14(16)10-18-15(20)11-17-9-12-5-2-3-6-13(12)21-8-4-7-19-21/h2-8,10,17H,9,11H2,1H3
InChIKeyZUFKPAGCTZYZJK-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.55
Rot. Bonds5

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine (PubChem CID 61166542) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
PubChem CID61166542
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
SMILESCn1c(Cl)cnc1CNCc1ccccc1-n1cccn1
InChIInChI=1S/C15H16ClN5/c1-20-14(16)10-18-15(20)11-17-9-12-5-2-3-6-13(12)21-8-4-7-19-21/h2-8,10,17H,9,11H2,1H3
InChIKeyZUFKPAGCTZYZJK-UHFFFAOYSA-N
XLogP2.55
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 115682527
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 61166350
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 51089946
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 61165939
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
N-[(2-pyrazol-1-ylphenyl)methyl]but-3-yn-2-amine
CID 113482433
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine (CID 61166542) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine is Cn1c(Cl)cnc1CNCc1ccccc1-n1cccn1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The InChIKey is ZUFKPAGCTZYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-20-14(16)10-18-15(20)11-17-9-12-5-2-3-6-13(12)21-8-4-7-19-21/h2-8,10,17H,9,11H2,1H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine has a molecular weight of 301.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 61166542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).