1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one

C19H35N5O — CID 51104980

IUPAC1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2c(C(C)C)nn(C)c2N(C)C)CC1
InChIInChI=1S/C19H35N5O/c1-13(2)17-16(18(22(5)6)23(7)21-17)12-20-15-8-10-24(11-9-15)19(25)14(3)4/h13-15,20H,8-12H2,1-7H3
InChIKeyZWZWWGKPAVUTMU-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.35
Rot. Bonds6

About 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 51104980) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID51104980
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2c(C(C)C)nn(C)c2N(C)C)CC1
InChIInChI=1S/C19H35N5O/c1-13(2)17-16(18(22(5)6)23(7)21-17)12-20-15-8-10-24(11-9-15)19(25)14(3)4/h13-15,20H,8-12H2,1-7H3
InChIKeyZWZWWGKPAVUTMU-UHFFFAOYSA-N
XLogP2.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 51104980) is 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(NCc2c(C(C)C)nn(C)c2N(C)C)CC1.
What is the InChIKey of 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZWZWWGKPAVUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-13(2)17-16(18(22(5)6)23(7)21-17)12-20-15-8-10-24(11-9-15)19(25)14(3)4/h13-15,20H,8-12H2,1-7H3.
What are the key properties of 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 349.52 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 51104980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).