N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine

C23H23N5 — CID 70729446

IUPACN-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N5/c1-17(22-12-13-24-16-25-22)28(2)15-21-14-26-27-23(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,16-17H,15H2,1-2H3,(H,26,27)
InChIKeyQQVUMPNOQFTHRE-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.73
Rot. Bonds6

About N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine

N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine (PubChem CID 70729446) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
PubChem CID70729446
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC NameN-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N5/c1-17(22-12-13-24-16-25-22)28(2)15-21-14-26-27-23(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,16-17H,15H2,1-2H3,(H,26,27)
InChIKeyQQVUMPNOQFTHRE-UHFFFAOYSA-N
XLogP4.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 95868101
(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 29210748
(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 42596255
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416
1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
CID 99946876
N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 91830976
(1S)-N-methyl-N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-1-pyrimidin-4-ylethanamine
CID 99930677
N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 45193089
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
The IUPAC name of N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine (CID 70729446) is N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
The canonical SMILES for N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine is CC(c1ccncn1)N(C)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
The InChIKey is QQVUMPNOQFTHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-17(22-12-13-24-16-25-22)28(2)15-21-14-26-27-23(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,16-17H,15H2,1-2H3,(H,26,27).
What are the key properties of N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine has a molecular weight of 369.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 70729446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).