N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine

C17H17ClN4 — CID 166211654

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(Cc1ccncc1)Cc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4/c1-22(11-13-6-8-19-9-7-13)12-15-10-20-21-17(15)14-2-4-16(18)5-3-14/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyJUJLLERTQZLCOK-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.76
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 166211654) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID166211654
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(Cc1ccncc1)Cc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4/c1-22(11-13-6-8-19-9-7-13)12-15-10-20-21-17(15)14-2-4-16(18)5-3-14/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyJUJLLERTQZLCOK-UHFFFAOYSA-N
XLogP3.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethylsulfonyl-N-methylethanamine
CID 166194678
N'-benzyl-N'-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 1096827
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702
1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082
4-[4-(chloromethyl)-1H-pyrazol-5-yl]pyridine
CID 121212215
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 77097342
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine (CID 166211654) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine is CN(Cc1ccncc1)Cc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is JUJLLERTQZLCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-22(11-13-6-8-19-9-7-13)12-15-10-20-21-17(15)14-2-4-16(18)5-3-14/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 312.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 166211654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).