(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone

C18H29N5O2 — CID 86786556

IUPAC(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone
SMILESCC(C)Cn1cc(C(=O)N2CCCC2C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H29N5O2/c1-14(2)12-22-13-15(11-19-22)17(24)23-6-4-5-16(23)18(25)21-9-7-20(3)8-10-21/h11,13-14,16H,4-10,12H2,1-3H3
InChIKeyQTQBTIVEVLSQDA-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.92
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone

(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone (PubChem CID 86786556) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone
PubChem CID86786556
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone
SMILESCC(C)Cn1cc(C(=O)N2CCCC2C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H29N5O2/c1-14(2)12-22-13-15(11-19-22)17(24)23-6-4-5-16(23)18(25)21-9-7-20(3)8-10-21/h11,13-14,16H,4-10,12H2,1-3H3
InChIKeyQTQBTIVEVLSQDA-UHFFFAOYSA-N
XLogP0.92
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylpropyl)pyrazol-4-yl]-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806178
(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 75431671
[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 99822666
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128988399
1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 126769097
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 75501560
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
[(2S)-1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 94161022
methyl (3S)-3-methyl-4-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-4-oxobutanoate
CID 97019401
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
trans-(1R,2R)-2-[1-(2-methylpropyl)pyrazole-4-carbonyl]cyclopropane-1-carboxylic acid
CID 99993401
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859316

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone (CID 86786556) is (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone is CC(C)Cn1cc(C(=O)N2CCCC2C(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone?
The InChIKey is QTQBTIVEVLSQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)12-22-13-15(11-19-22)17(24)23-6-4-5-16(23)18(25)21-9-7-20(3)8-10-21/h11,13-14,16H,4-10,12H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 86786556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).