[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

C19H33N5O2 — CID 70721848

IUPAC[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CCN3CCOCC3)CC2)n(C)n1
InChIInChI=1S/C19H33N5O2/c1-16(2)14-17-15-18(21(3)20-17)19(25)24-8-6-22(7-9-24)4-5-23-10-12-26-13-11-23/h15-16H,4-14H2,1-3H3
InChIKeyUJYFICAMVINQJU-UHFFFAOYSA-N
MW363.51 g/mol
LogP0.71
Rot. Bonds6

About [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (PubChem CID 70721848) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
PubChem CID70721848
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CCN3CCOCC3)CC2)n(C)n1
InChIInChI=1S/C19H33N5O2/c1-16(2)14-17-15-18(21(3)20-17)19(25)24-8-6-22(7-9-24)4-5-23-10-12-26-13-11-23/h15-16H,4-14H2,1-3H3
InChIKeyUJYFICAMVINQJU-UHFFFAOYSA-N
XLogP0.71
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
3-tert-butyl-1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 145963289
3-(tert-butyl)-1-methyl-N-morpholino-1H-pyrazole-5-carboxamide
CID 2811170
[1-[1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinyl]-4-piperidinyl]-(4-morpholinyl)methanone
CID 16191575
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49792144
N-[(2S)-3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 156014475
3-[1-(3-Tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3251603
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
3-Cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 47064401
1-ethyl-3-isobutyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-5-carboxamide
CID 70707303
1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70710179

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone (CID 70721848) is [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCN(CCN3CCOCC3)CC2)n(C)n1.
What is the InChIKey of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
The InChIKey is UJYFICAMVINQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-16(2)14-17-15-18(21(3)20-17)19(25)24-8-6-22(7-9-24)4-5-23-10-12-26-13-11-23/h15-16H,4-14H2,1-3H3.
What are the key properties of [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone?
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70721848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).