[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone

C18H29N5O3 — CID 95720314

IUPAC[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)n(C)n1
InChIInChI=1S/C18H29N5O3/c1-13(2)10-14-11-15(21(3)20-14)18(25)23-5-4-19-12-16(23)17(24)22-6-8-26-9-7-22/h11,13,16,19H,4-10,12H2,1-3H3/t16-/m0/s1
InChIKeyVUNQRSNAMRYSQF-INIZCTEOSA-N
MW363.46 g/mol
LogP-0.11
Rot. Bonds4

About [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 95720314) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
PubChem CID95720314
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)n(C)n1
InChIInChI=1S/C18H29N5O3/c1-13(2)10-14-11-15(21(3)20-14)18(25)23-5-4-19-12-16(23)17(24)22-6-8-26-9-7-22/h11,13,16,19H,4-10,12H2,1-3H3/t16-/m0/s1
InChIKeyVUNQRSNAMRYSQF-INIZCTEOSA-N
XLogP-0.11
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone 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 [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone (CID 95720314) is [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone is CC(C)Cc1cc(C(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)n(C)n1.
What is the InChIKey of [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VUNQRSNAMRYSQF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13(2)10-14-11-15(21(3)20-14)18(25)23-5-4-19-12-16(23)17(24)22-6-8-26-9-7-22/h11,13,16,19H,4-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 363.46 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95720314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).