N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine

C22H23N5 — CID 42196661

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCc1cnc(CN(C)Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C22H23N5/c1-16-12-23-21(25-16)15-27(2)14-20-13-24-26-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGJOQQJILSQFAGP-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.41
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 42196661) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID42196661
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCc1cnc(CN(C)Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C22H23N5/c1-16-12-23-21(25-16)15-27(2)14-20-13-24-26-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGJOQQJILSQFAGP-UHFFFAOYSA-N
XLogP4.41
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine (CID 42196661) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine is Cc1cnc(CN(C)Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is GJOQQJILSQFAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-16-12-23-21(25-16)15-27(2)14-20-13-24-26-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 357.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 42196661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).