1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine

C20H20N6 — CID 86808450

IUPAC1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1cncc(-c2[nH]ncc2CNCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C20H20N6/c1-3-18(12-21-8-1)20-19(14-23-25-20)13-22-11-16-4-6-17(7-5-16)15-26-10-2-9-24-26/h1-10,12,14,22H,11,13,15H2,(H,23,25)
InChIKeyFKXZPTXAMAJRIX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.01
Rot. Bonds7

About 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine

1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 86808450) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID86808450
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1cncc(-c2[nH]ncc2CNCc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C20H20N6/c1-3-18(12-21-8-1)20-19(14-23-25-20)13-22-11-16-4-6-17(7-5-16)15-26-10-2-9-24-26/h1-10,12,14,22H,11,13,15H2,(H,23,25)
InChIKeyFKXZPTXAMAJRIX-UHFFFAOYSA-N
XLogP3.01
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95136759
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 51114927
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 115989344
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 34535658
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 61068727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 86808450) is 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine is c1cncc(-c2[nH]ncc2CNCc2ccc(Cn3cccn3)cc2)c1.
What is the InChIKey of 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is FKXZPTXAMAJRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-18(12-21-8-1)20-19(14-23-25-20)13-22-11-16-4-6-17(7-5-16)15-26-10-2-9-24-26/h1-10,12,14,22H,11,13,15H2,(H,23,25).
What are the key properties of 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine?
1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 344.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86808450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).