1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine

C20H20N6 — CID 38059529

IUPAC1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3nncn3-c3ccccc3)cn2)cc1
InChIInChI=1S/C20H20N6/c1-3-7-17(8-4-1)14-25-15-18(12-23-25)11-21-13-20-24-22-16-26(20)19-9-5-2-6-10-19/h1-10,12,15-16,21H,11,13-14H2
InChIKeySBNLJGDMHQZEME-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.80
Rot. Bonds7

About 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 38059529) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID38059529
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3nncn3-c3ccccc3)cn2)cc1
InChIInChI=1S/C20H20N6/c1-3-7-17(8-4-1)14-25-15-18(12-23-25)11-21-13-20-24-22-16-26(20)19-9-5-2-6-10-19/h1-10,12,15-16,21H,11,13-14H2
InChIKeySBNLJGDMHQZEME-UHFFFAOYSA-N
XLogP2.80
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-tert-butylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 86808183
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 122198913
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415339
1-(1-benzylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979043
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957130

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 38059529) is 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine is c1ccc(Cn2cc(CNCc3nncn3-c3ccccc3)cn2)cc1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is SBNLJGDMHQZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-7-17(8-4-1)14-25-15-18(12-23-25)11-21-13-20-24-22-16-26(20)19-9-5-2-6-10-19/h1-10,12,15-16,21H,11,13-14H2.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 344.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 38059529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).