1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine

C12H23N3 — CID 105463537

IUPAC1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
SMILESCCn1nc(CC(C)NC)cc1C(C)C
InChIInChI=1S/C12H23N3/c1-6-15-12(9(2)3)8-11(14-15)7-10(4)13-5/h8-10,13H,6-7H2,1-5H3
InChIKeyUOPXEKMRVXIFPI-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.18
Rot. Bonds5

About 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine

1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine (PubChem CID 105463537) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
PubChem CID105463537
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
SMILESCCn1nc(CC(C)NC)cc1C(C)C
InChIInChI=1S/C12H23N3/c1-6-15-12(9(2)3)8-11(14-15)7-10(4)13-5/h8-10,13H,6-7H2,1-5H3
InChIKeyUOPXEKMRVXIFPI-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine (CID 105463537) is 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine is CCn1nc(CC(C)NC)cc1C(C)C.
What is the InChIKey of 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine?
The InChIKey is UOPXEKMRVXIFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-15-12(9(2)3)8-11(14-15)7-10(4)13-5/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine?
1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105463537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).