1-(1-benzylpyrazol-4-yl)-N-methylmethanamine

C12H15N3 — CID 7131412

IUPAC1-(1-benzylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H15N3/c1-13-7-12-8-14-15(10-12)9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3
InChIKeyGNNFYIHJZHYNQJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.65
Rot. Bonds4

About 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine

1-(1-benzylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 7131412) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-methylmethanamine
PubChem CID7131412
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C12H15N3/c1-13-7-12-8-14-15(10-12)9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3
InChIKeyGNNFYIHJZHYNQJ-UHFFFAOYSA-N
XLogP1.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine (CID 7131412) is 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine is CNCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is GNNFYIHJZHYNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-13-7-12-8-14-15(10-12)9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine?
1-(1-benzylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 7131412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).