N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide

C22H27N5O — CID 47613149

IUPACN-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C22H27N5O/c1-16(2)27(4)22(28)19-7-5-17(6-8-19)13-24-14-20-15-26(3)25-21(20)18-9-11-23-12-10-18/h5-12,15-16,24H,13-14H2,1-4H3
InChIKeyXMIUMUDPSXUFIA-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.25
Rot. Bonds7

About N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide

N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide (PubChem CID 47613149) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
PubChem CID47613149
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C22H27N5O/c1-16(2)27(4)22(28)19-7-5-17(6-8-19)13-24-14-20-15-26(3)25-21(20)18-9-11-23-12-10-18/h5-12,15-16,24H,13-14H2,1-4H3
InChIKeyXMIUMUDPSXUFIA-UHFFFAOYSA-N
XLogP3.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47611472
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47614231
N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 47611796
2,5-dimethyl-1-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449405
1-[4-[2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethyl]piperazin-1-yl]ethanone
CID 56819805
N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide
CID 47052300
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47615231
1-(2-fluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
CID 86808933
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 98753299
1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
CID 47613350

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide (CID 47613149) is N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1.
What is the InChIKey of N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide?
The InChIKey is XMIUMUDPSXUFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(2)27(4)22(28)19-7-5-17(6-8-19)13-24-14-20-15-26(3)25-21(20)18-9-11-23-12-10-18/h5-12,15-16,24H,13-14H2,1-4H3.
What are the key properties of N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide?
N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 47613149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).