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

C16H24ClN5 — CID 56796563

IUPAC5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCC(C)c1nn(C)c(Cl)c1CNCc1ccc(N(C)C)nc1
InChIInChI=1S/C16H24ClN5/c1-11(2)15-13(16(17)22(5)20-15)10-18-8-12-6-7-14(19-9-12)21(3)4/h6-7,9,11,18H,8,10H2,1-5H3
InChIKeyKWHLPPIHVJJHMP-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.95
Rot. Bonds6

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

5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 56796563) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID56796563
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCC(C)c1nn(C)c(Cl)c1CNCc1ccc(N(C)C)nc1
InChIInChI=1S/C16H24ClN5/c1-11(2)15-13(16(17)22(5)20-15)10-18-8-12-6-7-14(19-9-12)21(3)4/h6-7,9,11,18H,8,10H2,1-5H3
InChIKeyKWHLPPIHVJJHMP-UHFFFAOYSA-N
XLogP2.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine with MolForge

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Related Compounds

Arylpyrazole, 28
CID 44143428
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
Arylpyrazole, 20
CID 44143420
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415
ORL1 antagonist 1
CID 44143417
Arylpyrazole, 18
CID 44143418
Arylpyrazole, 19
CID 44143419
Arylpyrazole, 22
CID 44143422
Arylpyrazole, 26
CID 44143426
Arylpyrazole, 27
CID 44143427
Arylpyrazole, 30
CID 44143430
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 56796563) is 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine is CC(C)c1nn(C)c(Cl)c1CNCc1ccc(N(C)C)nc1.
What is the InChIKey of 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is KWHLPPIHVJJHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5/c1-11(2)15-13(16(17)22(5)20-15)10-18-8-12-6-7-14(19-9-12)21(3)4/h6-7,9,11,18H,8,10H2,1-5H3.
What are the key properties of 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 321.86 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 56796563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).