3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine

C9H18N4 — CID 67762894

IUPAC3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCCNCc1nn(C(C)C)cc1N
InChIInChI=1S/C9H18N4/c1-4-11-5-9-8(10)6-13(12-9)7(2)3/h6-7,11H,4-5,10H2,1-3H3
InChIKeyZQZFAPBKCDQNQM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.16
Rot. Bonds4

About 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine

3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 67762894) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID67762894
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCCNCc1nn(C(C)C)cc1N
InChIInChI=1S/C9H18N4/c1-4-11-5-9-8(10)6-13(12-9)7(2)3/h6-7,11H,4-5,10H2,1-3H3
InChIKeyZQZFAPBKCDQNQM-UHFFFAOYSA-N
XLogP1.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine (CID 67762894) is 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine is CCNCc1nn(C(C)C)cc1N.
What is the InChIKey of 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is ZQZFAPBKCDQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-11-5-9-8(10)6-13(12-9)7(2)3/h6-7,11H,4-5,10H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine?
3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 182.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 67762894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).