N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine

C12H18N4 — CID 104621816

IUPACN-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc2c(CC)cnn2c1
InChIInChI=1S/C12H18N4/c1-3-5-13-6-10-7-14-12-11(4-2)8-15-16(12)9-10/h7-9,13H,3-6H2,1-2H3
InChIKeyGCQBLZFVRAABEI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds5

About N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine

N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine (PubChem CID 104621816) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
PubChem CID104621816
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc2c(CC)cnn2c1
InChIInChI=1S/C12H18N4/c1-3-5-13-6-10-7-14-12-11(4-2)8-15-16(12)9-10/h7-9,13H,3-6H2,1-2H3
InChIKeyGCQBLZFVRAABEI-UHFFFAOYSA-N
XLogP1.79
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621790
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
CID 55241694
N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62730305
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
N-[[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 55111012
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116633397
N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 104621807
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[[1-[(4-chloro-2-nitrophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62731938

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine (CID 104621816) is N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine is CCCNCc1cnc2c(CC)cnn2c1.
What is the InChIKey of N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
The InChIKey is GCQBLZFVRAABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-5-13-6-10-7-14-12-11(4-2)8-15-16(12)9-10/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine?
N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 104621816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).