N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine

C12H23N3 — CID 66440323

IUPACN-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCn1ncc(CNC(C)C)c1C(C)C
InChIInChI=1S/C12H23N3/c1-6-15-12(9(2)3)11(8-14-15)7-13-10(4)5/h8-10,13H,6-7H2,1-5H3
InChIKeyKKKOZJLKOSJPTI-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.52
Rot. Bonds5

About N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 66440323) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID66440323
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCn1ncc(CNC(C)C)c1C(C)C
InChIInChI=1S/C12H23N3/c1-6-15-12(9(2)3)11(8-14-15)7-13-10(4)5/h8-10,13H,6-7H2,1-5H3
InChIKeyKKKOZJLKOSJPTI-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine (CID 66440323) is N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine is CCn1ncc(CNC(C)C)c1C(C)C.
What is the InChIKey of N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is KKKOZJLKOSJPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-15-12(9(2)3)11(8-14-15)7-13-10(4)5/h8-10,13H,6-7H2,1-5H3.
What are the key properties of N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66440323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).