N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine

C8H11N3 — CID 130703218

IUPACN,1-dimethyl-N-prop-2-ynylpyrazol-3-amine
SMILESC#CCN(C)c1ccn(C)n1
InChIInChI=1S/C8H11N3/c1-4-6-10(2)8-5-7-11(3)9-8/h1,5,7H,6H2,2-3H3
InChIKeyUQBQSEZCUDWCQM-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.49
Rot. Bonds2

About N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine

N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine (PubChem CID 130703218) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-prop-2-ynylpyrazol-3-amine
PubChem CID130703218
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN,1-dimethyl-N-prop-2-ynylpyrazol-3-amine
SMILESC#CCN(C)c1ccn(C)n1
InChIInChI=1S/C8H11N3/c1-4-6-10(2)8-5-7-11(3)9-8/h1,5,7H,6H2,2-3H3
InChIKeyUQBQSEZCUDWCQM-UHFFFAOYSA-N
XLogP0.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine?
The IUPAC name of N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine (CID 130703218) is N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine.
What is the SMILES notation for N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine?
The canonical SMILES for N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine is C#CCN(C)c1ccn(C)n1.
What is the InChIKey of N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine?
The InChIKey is UQBQSEZCUDWCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-6-10(2)8-5-7-11(3)9-8/h1,5,7H,6H2,2-3H3.
What are the key properties of N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine?
N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine has a molecular weight of 149.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine is sourced from PubChem (CID 130703218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).