1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine

C9H16ClN3 — CID 83881094

IUPAC1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1c(C(C)C)nn(C)c1Cl
InChIInChI=1S/C9H16ClN3/c1-6(2)8-7(5-11-3)9(10)13(4)12-8/h6,11H,5H2,1-4H3
InChIKeyZRCHLSJKUGNDIX-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine

1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 83881094) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
PubChem CID83881094
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1c(C(C)C)nn(C)c1Cl
InChIInChI=1S/C9H16ClN3/c1-6(2)8-7(5-11-3)9(10)13(4)12-8/h6,11H,5H2,1-4H3
InChIKeyZRCHLSJKUGNDIX-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine (CID 83881094) is 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine is CNCc1c(C(C)C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is ZRCHLSJKUGNDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-6(2)8-7(5-11-3)9(10)13(4)12-8/h6,11H,5H2,1-4H3.
What are the key properties of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 201.70 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 83881094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).