N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine

C13H24N4 — CID 43280266

IUPACN-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCCC2)c1CNC(C)C
InChIInChI=1S/C13H24N4/c1-10(2)14-9-12-11(3)15-16(4)13(12)17-7-5-6-8-17/h10,14H,5-9H2,1-4H3
InChIKeyFLNPJTHJHOWNPH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds4

About N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine

N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43280266) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID43280266
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(N2CCCC2)c1CNC(C)C
InChIInChI=1S/C13H24N4/c1-10(2)14-9-12-11(3)15-16(4)13(12)17-7-5-6-8-17/h10,14H,5-9H2,1-4H3
InChIKeyFLNPJTHJHOWNPH-UHFFFAOYSA-N
XLogP1.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine (CID 43280266) is N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(N2CCCC2)c1CNC(C)C.
What is the InChIKey of N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is FLNPJTHJHOWNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)14-9-12-11(3)15-16(4)13(12)17-7-5-6-8-17/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43280266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).