N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine

C18H19N3 — CID 62771701

IUPACN-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCNCc1ccc(Cn2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C18H19N3/c1-19-11-15-7-9-16(10-8-15)13-21-14-18(12-20-21)17-5-3-2-4-6-17/h2-10,12,14,19H,11,13H2,1H3
InChIKeyZWMIWFSFEMNZQF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine

N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine (PubChem CID 62771701) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
PubChem CID62771701
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCNCc1ccc(Cn2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C18H19N3/c1-19-11-15-7-9-16(10-8-15)13-21-14-18(12-20-21)17-5-3-2-4-6-17/h2-10,12,14,19H,11,13H2,1H3
InChIKeyZWMIWFSFEMNZQF-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907449
N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
CID 62771530
[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
4-[(4-phenylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 62770269
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
CID 123700183

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine (CID 62771701) is N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine is CNCc1ccc(Cn2cc(-c3ccccc3)cn2)cc1.
What is the InChIKey of N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is ZWMIWFSFEMNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-19-11-15-7-9-16(10-8-15)13-21-14-18(12-20-21)17-5-3-2-4-6-17/h2-10,12,14,19H,11,13H2,1H3.
What are the key properties of N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 62771701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).