N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

C19H25N5 — CID 77095726

IUPACN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CN(C)CCCc2nccn2C)cc1
InChIInChI=1S/C19H25N5/c1-15-6-8-16(9-7-15)19-17(13-21-22-19)14-23(2)11-4-5-18-20-10-12-24(18)3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,21,22)
InChIKeyVMKGIZKFGRNIML-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.18
Rot. Bonds7

About N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine

N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 77095726) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID77095726
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1ccc(-c2[nH]ncc2CN(C)CCCc2nccn2C)cc1
InChIInChI=1S/C19H25N5/c1-15-6-8-16(9-7-15)19-17(13-21-22-19)14-23(2)11-4-5-18-20-10-12-24(18)3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,21,22)
InChIKeyVMKGIZKFGRNIML-UHFFFAOYSA-N
XLogP3.18
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416
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CID 91835364
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196356
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 42515172
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 146733715
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethylsulfonyl-N-methylethanamine
CID 166194678
N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine
CID 118122192
N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
CID 74241148
N-methyl-N-[[5-[4-[2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 158645742
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
CID 171906462
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 77095726) is N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is Cc1ccc(-c2[nH]ncc2CN(C)CCCc2nccn2C)cc1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is VMKGIZKFGRNIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-15-6-8-16(9-7-15)19-17(13-21-22-19)14-23(2)11-4-5-18-20-10-12-24(18)3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,21,22).
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 323.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 77095726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).