N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine

C11H20N4 — CID 54847437

IUPACN-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
SMILESCNCc1n[nH]c2c1CN(C(C)C)CC2
InChIInChI=1S/C11H20N4/c1-8(2)15-5-4-10-9(7-15)11(6-12-3)14-13-10/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMOXMPZKGPPDZDQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine

N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine (PubChem CID 54847437) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
PubChem CID54847437
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
SMILESCNCc1n[nH]c2c1CN(C(C)C)CC2
InChIInChI=1S/C11H20N4/c1-8(2)15-5-4-10-9(7-15)11(6-12-3)14-13-10/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMOXMPZKGPPDZDQ-UHFFFAOYSA-N
XLogP0.90
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine (CID 54847437) is N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine is CNCc1n[nH]c2c1CN(C(C)C)CC2.
What is the InChIKey of N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine?
The InChIKey is MOXMPZKGPPDZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)15-5-4-10-9(7-15)11(6-12-3)14-13-10/h8,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine?
N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine is sourced from PubChem (CID 54847437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).