(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

C12H18ClFN4O2 — CID 162281864

IUPAC(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)c2[nH]nc(N)c2Cl)C[C@H]1F
InChIInChI=1S/C12H18ClFN4O2/c1-6(2)20-8-3-4-18(5-7(8)14)12(19)10-9(13)11(15)17-16-10/h6-8H,3-5H2,1-2H3,(H3,15,16,17)/t7-,8+/m1/s1
InChIKeyBYZBOKWVCBZMHE-SFYZADRCSA-N
MW304.75 g/mol
LogP1.62
Rot. Bonds3

About (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 162281864) has the molecular formula C12H18ClFN4O2 and a molecular weight of 304.75 g/mol. Its IUPAC name is (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID162281864
Molecular FormulaC12H18ClFN4O2
Molecular Weight304.75 g/mol
Exact Mass304.11
IUPAC Name(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)c2[nH]nc(N)c2Cl)C[C@H]1F
InChIInChI=1S/C12H18ClFN4O2/c1-6(2)20-8-3-4-18(5-7(8)14)12(19)10-9(13)11(15)17-16-10/h6-8H,3-5H2,1-2H3,(H3,15,16,17)/t7-,8+/m1/s1
InChIKeyBYZBOKWVCBZMHE-SFYZADRCSA-N
XLogP1.62
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone 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 (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 162281864) is (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)c2[nH]nc(N)c2Cl)C[C@H]1F.
What is the InChIKey of (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is BYZBOKWVCBZMHE-SFYZADRCSA-N. The full InChI is InChI=1S/C12H18ClFN4O2/c1-6(2)20-8-3-4-18(5-7(8)14)12(19)10-9(13)11(15)17-16-10/h6-8H,3-5H2,1-2H3,(H3,15,16,17)/t7-,8+/m1/s1.
What are the key properties of (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 304.75 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 162281864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).