[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine

C13H16N4 — CID 64779552

IUPAC[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1Cn1ccc(C2CC2)n1
InChIInChI=1S/C13H16N4/c14-8-13-11(2-1-6-15-13)9-17-7-5-12(16-17)10-3-4-10/h1-2,5-7,10H,3-4,8-9,14H2
InChIKeyHSTZNAAFAFMAAE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.66
Rot. Bonds4

About [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine

[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 64779552) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID64779552
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1Cn1ccc(C2CC2)n1
InChIInChI=1S/C13H16N4/c14-8-13-11(2-1-6-15-13)9-17-7-5-12(16-17)10-3-4-10/h1-2,5-7,10H,3-4,8-9,14H2
InChIKeyHSTZNAAFAFMAAE-UHFFFAOYSA-N
XLogP1.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine (CID 64779552) is [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine is NCc1ncccc1Cn1ccc(C2CC2)n1.
What is the InChIKey of [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is HSTZNAAFAFMAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-8-13-11(2-1-6-15-13)9-17-7-5-12(16-17)10-3-4-10/h1-2,5-7,10H,3-4,8-9,14H2.
What are the key properties of [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
[3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 64779552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).