1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

C7H13N3 — CID 573114

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(C)c1C
InChIInChI=1S/C7H13N3/c1-6-7(4-8-2)5-9-10(6)3/h5,8H,4H2,1-3H3
InChIKeyGVBFGLTZOPGOSB-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.45
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 573114) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID573114
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(C)c1C
InChIInChI=1S/C7H13N3/c1-6-7(4-8-2)5-9-10(6)3/h5,8H,4H2,1-3H3
InChIKeyGVBFGLTZOPGOSB-UHFFFAOYSA-N
XLogP0.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (CID 573114) is 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is CNCc1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is GVBFGLTZOPGOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-7(4-8-2)5-9-10(6)3/h5,8H,4H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 573114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).