[(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

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Related Compounds

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
CID 66120562
(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide
CID 95722133
[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 95722992
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 56887679
[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 56891270
2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 95724884
[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 95718120
[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 133138619
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110105248
[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95726530
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247275

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).