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

C21H21N5 — CID 51114927

IUPAC1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2[nH]ncc2CNCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C21H21N5/c1-2-4-19(5-3-1)21-20(14-24-25-21)13-23-12-17-6-8-18(9-7-17)15-26-11-10-22-16-26/h1-11,14,16,23H,12-13,15H2,(H,24,25)
InChIKeyTVASVAYSZOAEFO-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.61
Rot. Bonds7

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

1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 51114927) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID51114927
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-c2[nH]ncc2CNCc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C21H21N5/c1-2-4-19(5-3-1)21-20(14-24-25-21)13-23-12-17-6-8-18(9-7-17)15-26-11-10-22-16-26/h1-11,14,16,23H,12-13,15H2,(H,24,25)
InChIKeyTVASVAYSZOAEFO-UHFFFAOYSA-N
XLogP3.61
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808687
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808450
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
1-(3-methyl-4-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 114699278
tert-butyl 4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoate
CID 119138574
1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 62524526
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenylbutan-1-amine
CID 119142083
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60961241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 51114927) is 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is c1ccc(-c2[nH]ncc2CNCc2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is TVASVAYSZOAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-2-4-19(5-3-1)21-20(14-24-25-21)13-23-12-17-6-8-18(9-7-17)15-26-11-10-22-16-26/h1-11,14,16,23H,12-13,15H2,(H,24,25).
What are the key properties of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 343.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 51114927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).