N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine

C19H25N5O3 — CID 42196356

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCOc1cc(-c2[nH]ncc2CN(C)Cc2nccn2C)cc(OC)c1OC
InChIInChI=1S/C19H25N5O3/c1-23(12-17-20-6-7-24(17)2)11-14-10-21-22-18(14)13-8-15(25-3)19(27-5)16(9-13)26-4/h6-10H,11-12H2,1-5H3,(H,21,22)
InChIKeyBFWKHMFHUUBCMC-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.47
Rot. Bonds8

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 42196356) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID42196356
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCOc1cc(-c2[nH]ncc2CN(C)Cc2nccn2C)cc(OC)c1OC
InChIInChI=1S/C19H25N5O3/c1-23(12-17-20-6-7-24(17)2)11-14-10-21-22-18(14)13-8-15(25-3)19(27-5)16(9-13)26-4/h6-10H,11-12H2,1-5H3,(H,21,22)
InChIKeyBFWKHMFHUUBCMC-UHFFFAOYSA-N
XLogP2.47
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 42515172
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 77095726
(2R)-2-(1-methylimidazol-2-yl)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42530358
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 75451786
1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
CID 42527594
2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 65344219
N-[[5-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158486957
1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 30723108
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60695988
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine (CID 42196356) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine is COc1cc(-c2[nH]ncc2CN(C)Cc2nccn2C)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is BFWKHMFHUUBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23(12-17-20-6-7-24(17)2)11-14-10-21-22-18(14)13-8-15(25-3)19(27-5)16(9-13)26-4/h6-10H,11-12H2,1-5H3,(H,21,22).
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 371.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 42196356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).