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

C12H19N5 — CID 43282057

IUPACN-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1-n1cccn1
InChIInChI=1S/C12H19N5/c1-4-6-13-9-11-10(2)15-16(3)12(11)17-8-5-7-14-17/h5,7-8,13H,4,6,9H2,1-3H3
InChIKeyNHHOVKSWKYKUCU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.41
Rot. Bonds5

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

N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43282057) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID43282057
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1-n1cccn1
InChIInChI=1S/C12H19N5/c1-4-6-13-9-11-10(2)15-16(3)12(11)17-8-5-7-14-17/h5,7-8,13H,4,6,9H2,1-3H3
InChIKeyNHHOVKSWKYKUCU-UHFFFAOYSA-N
XLogP1.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine (CID 43282057) is N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine is CCCNCc1c(C)nn(C)c1-n1cccn1.
What is the InChIKey of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is NHHOVKSWKYKUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-6-13-9-11-10(2)15-16(3)12(11)17-8-5-7-14-17/h5,7-8,13H,4,6,9H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine?
N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43282057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).