(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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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).