(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone

C18H29ClN4O3 — CID 72941397

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
SMILESCc1c(Cl)c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nn1C
InChIInChI=1S/C18H29ClN4O3/c1-13-16(19)17(20-21(13)2)18(25)23-6-5-15(14(12-23)4-3-9-24)22-7-10-26-11-8-22/h14-15,24H,3-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyKHCCPIQAJSBBNS-CABCVRRESA-N
MW384.91 g/mol
LogP1.32
Rot. Bonds5

About (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone (PubChem CID 72941397) has the molecular formula C18H29ClN4O3 and a molecular weight of 384.91 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
PubChem CID72941397
Molecular FormulaC18H29ClN4O3
Molecular Weight384.91 g/mol
Exact Mass384.19
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
SMILESCc1c(Cl)c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nn1C
InChIInChI=1S/C18H29ClN4O3/c1-13-16(19)17(20-21(13)2)18(25)23-6-5-15(14(12-23)4-3-9-24)22-7-10-26-11-8-22/h14-15,24H,3-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyKHCCPIQAJSBBNS-CABCVRRESA-N
XLogP1.32
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-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 (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone (CID 72941397) is (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone is Cc1c(Cl)c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
The InChIKey is KHCCPIQAJSBBNS-CABCVRRESA-N. The full InChI is InChI=1S/C18H29ClN4O3/c1-13-16(19)17(20-21(13)2)18(25)23-6-5-15(14(12-23)4-3-9-24)22-7-10-26-11-8-22/h14-15,24H,3-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone has a molecular weight of 384.91 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 72941397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).