(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone

C12H19N3O — CID 116587054

IUPAC(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2CCC(N)C2)cn1
InChIInChI=1S/C12H19N3O/c1-2-5-15-8-10(7-14-15)12(16)9-3-4-11(13)6-9/h7-9,11H,2-6,13H2,1H3
InChIKeyITMCGPUAICTMKM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds4

About (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone

(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 116587054) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
PubChem CID116587054
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2CCC(N)C2)cn1
InChIInChI=1S/C12H19N3O/c1-2-5-15-8-10(7-14-15)12(16)9-3-4-11(13)6-9/h7-9,11H,2-6,13H2,1H3
InChIKeyITMCGPUAICTMKM-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone (CID 116587054) is (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)C2CCC(N)C2)cn1.
What is the InChIKey of (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is ITMCGPUAICTMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-15-8-10(7-14-15)12(16)9-3-4-11(13)6-9/h7-9,11H,2-6,13H2,1H3.
What are the key properties of (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone?
(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 116587054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).