4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide

C19H29N5O — CID 51104983

IUPAC4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2c(C(C)C)nn(C)c2N(C)C)cc1
InChIInChI=1S/C19H29N5O/c1-13(2)17-16(19(23(4)5)24(6)22-17)12-21-11-14-7-9-15(10-8-14)18(25)20-3/h7-10,13,21H,11-12H2,1-6H3,(H,20,25)
InChIKeyCFBIENXNQCWEFE-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.26
Rot. Bonds7

About 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide

4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide (PubChem CID 51104983) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide
PubChem CID51104983
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2c(C(C)C)nn(C)c2N(C)C)cc1
InChIInChI=1S/C19H29N5O/c1-13(2)17-16(19(23(4)5)24(6)22-17)12-21-11-14-7-9-15(10-8-14)18(25)20-3/h7-10,13,21H,11-12H2,1-6H3,(H,20,25)
InChIKeyCFBIENXNQCWEFE-UHFFFAOYSA-N
XLogP2.26
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol
CID 51105252
5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 51105016
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 51104956
N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide
CID 66130279
4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide
CID 104923328
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol
CID 51104909
N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine
CID 95139724
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 51105276
1-methyl-4-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]pyrazole-5-carboxylic acid
CID 166253855
N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
CID 66409354

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide (CID 51104983) is 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCc2c(C(C)C)nn(C)c2N(C)C)cc1.
What is the InChIKey of 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide?
The InChIKey is CFBIENXNQCWEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-13(2)17-16(19(23(4)5)24(6)22-17)12-21-11-14-7-9-15(10-8-14)18(25)20-3/h7-10,13,21H,11-12H2,1-6H3,(H,20,25).
What are the key properties of 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide?
4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide has a molecular weight of 343.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 51104983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).