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

C18H30N6 — CID 51105016

IUPAC5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCc1ccc(N(C)C)nc1
InChIInChI=1S/C18H30N6/c1-13(2)17-15(18(23(5)6)24(7)21-17)12-19-10-14-8-9-16(20-11-14)22(3)4/h8-9,11,13,19H,10,12H2,1-7H3
InChIKeyDMHKUJNGUXTXIF-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.36
Rot. Bonds7

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

5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 51105016) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID51105016
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCc1ccc(N(C)C)nc1
InChIInChI=1S/C18H30N6/c1-13(2)17-15(18(23(5)6)24(7)21-17)12-19-10-14-8-9-16(20-11-14)22(3)4/h8-9,11,13,19H,10,12H2,1-7H3
InChIKeyDMHKUJNGUXTXIF-UHFFFAOYSA-N
XLogP2.36
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 51105016) is 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is CC(C)c1nn(C)c(N(C)C)c1CNCc1ccc(N(C)C)nc1.
What is the InChIKey of 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is DMHKUJNGUXTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-13(2)17-15(18(23(5)6)24(7)21-17)12-19-10-14-8-9-16(20-11-14)22(3)4/h8-9,11,13,19H,10,12H2,1-7H3.
What are the key properties of 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 330.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 51105016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).